 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_180_STD_wB97XD-augccpVDZr.in
 Output=23_tartaric_acid_180_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/23_tartaric_acid_180_STD/Gau-36616.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/23_tartaric_acid_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     36618.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_180_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 22:44:47 2021, MaxMem= 10737418240 cpu:               2.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_180_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.590679000000     -0.628285000000     -0.073741000000
  O                                                 1.211559000000     -1.775276000000      0.013291000000
  O                                                 2.868849000000     -0.318264000000      0.051126000000
  C                                                 0.664406000000      0.550522000000     -0.353134000000
  C                                                -0.685188000000      0.564721000000      0.381775000000
  C                                                -1.733895000000     -0.516464000000      0.037464000000
  O                                                -2.859483000000     -0.150461000000     -0.205746000000
  O                                                 1.393505000000      1.714785000000      0.033235000000
  O                                                -1.246997000000      1.824753000000      0.059042000000
  O                                                -1.388076000000     -1.783485000000      0.060653000000
  H                                                 0.467689000000      0.633094000000     -1.429180000000
  H                                                -0.485201000000      0.574611000000      1.460886000000
  H                                                -0.398921000000     -1.894520000000      0.109807000000
  H                                                 2.947109000000      0.655108000000      0.032070000000
  H                                                 0.799648000000      2.471836000000     -0.067292000000
  H                                                -2.181205000000      1.640492000000     -0.153284000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul  8 22:44:47 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318264    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150461   -0.205746
      8          8           0        1.393505    1.714785    0.033235
      9          8           0       -1.246997    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655108    0.032070
     15          1           0        0.799648    2.471836   -0.067292
     16          1           0       -2.181205    1.640492   -0.153284
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.211154   0.000000
     3  O    1.321145   2.207017   0.000000
     4  C    1.525001   2.417226   2.403702   0.000000
     5  C    2.609661   3.034636   3.676978   1.536781   0.000000
     6  C    3.328312   3.203263   4.607030   2.653841   1.545088
     7  O    4.477687   4.388779   5.736543   3.595955   2.363096
     8  O    2.353784   3.494857   2.512021   1.427016   2.401061
     9  O    3.753323   4.359679   4.640342   2.333884   1.416851
    10  O    3.197738   2.600079   4.502041   3.135521   2.472093
    11  H    2.165502   2.904189   2.976904   1.096992   2.147873
    12  H    2.848037   3.239829   3.746238   2.147753   1.097530
    13  H    2.365491   1.617770   3.628546   2.706143   2.490739
    14  H    1.870346   2.986512   0.976699   2.317338   3.650212
    15  H    3.199456   4.267801   3.475669   1.947163   2.458350
    16  H    4.402361   4.817267   5.420475   3.053764   1.918760
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.208328   0.000000
     8  O    3.841760   4.650179   0.000000
     9  O    2.391408   2.563532   2.642917   0.000000
    10  O    1.313572   2.214221   4.469434   3.610995   0.000000
    11  H    2.884354   3.630540   2.041041   2.564177   3.391654
    12  H    2.185363   2.990085   2.620634   2.026908   2.887292
    13  H    1.920007   3.032438   4.030600   3.815076   0.996580
    14  H    4.825392   5.867027   1.880586   4.354230   4.974071
    15  H    3.919152   4.503871   0.967418   2.150217   4.786467
    16  H    2.211093   1.915809   3.580344   0.975592   3.521142
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.043666   0.000000
    13  H    3.083557   2.815931   0.000000
    14  H    2.878065   3.718702   4.207441   0.000000
    15  H    2.312122   2.754202   4.531335   2.814598   0.000000
    16  H    3.107958   2.572562   3.967627   5.225413   3.095806
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.29D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.590679   -0.628285   -0.073741
      2          8           0        1.211559   -1.775276    0.013291
      3          8           0        2.868849   -0.318265    0.051126
      4          6           0        0.664406    0.550522   -0.353134
      5          6           0       -0.685188    0.564721    0.381775
      6          6           0       -1.733895   -0.516464    0.037464
      7          8           0       -2.859483   -0.150460   -0.205746
      8          8           0        1.393506    1.714785    0.033235
      9          8           0       -1.246996    1.824753    0.059042
     10          8           0       -1.388076   -1.783485    0.060653
     11          1           0        0.467689    0.633094   -1.429180
     12          1           0       -0.485201    0.574611    1.460886
     13          1           0       -0.398921   -1.894520    0.109807
     14          1           0        2.947109    0.655107    0.032070
     15          1           0        0.799649    2.471836   -0.067292
     16          1           0       -2.181204    1.640493   -0.153284
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0975833           1.0678559           0.7247209
 Leave Link  202 at Thu Jul  8 22:44:48 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       580.0099000626 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0079204843 Hartrees.
 Nuclear repulsion after empirical dispersion term =      580.0019795783 Hartrees.
 Leave Link  301 at Thu Jul  8 22:44:50 2021, MaxMem= 10737418240 cpu:              34.2 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  2.31D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul  8 22:44:51 2021, MaxMem= 10737418240 cpu:               6.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 22:44:51 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_180_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 22:44:52 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737225648 LenY= 10737132791
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.311851013253    
 DIIS: error= 2.12D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.311851013253     IErMin= 1 ErrMin= 2.12D-03
 ErrMax= 2.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.70D-03 BMatP= 9.70D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.12D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.416 Goal=   None    Shift=    0.000
 GapD=    0.416 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.94D-03 MaxDP=3.93D-01              OVMax= 1.44D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.80D-03    CP:  9.46D-01
 E= -607.319288067889     Delta-E=       -0.007437054636 Rises=F Damp=F
 DIIS: error= 4.10D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.319288067889     IErMin= 2 ErrMin= 4.10D-04
 ErrMax= 4.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-04 BMatP= 9.70D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.10D-03
 Coeff-Com: -0.228D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.227D-01 0.102D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 RMSDP=9.21D-04 MaxDP=4.42D-02 DE=-7.44D-03 OVMax= 4.40D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.84D-04    CP:  9.39D-01  1.11D+00
 E= -607.319446687182     Delta-E=       -0.000158619293 Rises=F Damp=F
 DIIS: error= 4.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -607.319446687182     IErMin= 2 ErrMin= 4.10D-04
 ErrMax= 4.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-04 BMatP= 2.46D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.29D-03
 Coeff-Com: -0.412D-01 0.526D+00 0.515D+00
 Coeff-En:   0.000D+00 0.178D+00 0.822D+00
 Coeff:     -0.410D-01 0.525D+00 0.516D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.23D-04 MaxDP=5.78D-03 DE=-1.59D-04 OVMax= 1.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.80D-05    CP:  9.38D-01  1.12D+00  1.10D+00
 E= -607.319610624851     Delta-E=       -0.000163937669 Rises=F Damp=F
 DIIS: error= 6.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.319610624851     IErMin= 4 ErrMin= 6.85D-05
 ErrMax= 6.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.18D-06 BMatP= 2.46D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.651D-02 0.247D-01 0.958D-01 0.886D+00
 Coeff:     -0.651D-02 0.247D-01 0.958D-01 0.886D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=7.26D-05 MaxDP=4.34D-03 DE=-1.64D-04 OVMax= 6.78D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.51D-05    CP:  9.37D-01  1.13D+00  1.20D+00  1.08D+00
 E= -607.319615692291     Delta-E=       -0.000005067440 Rises=F Damp=F
 DIIS: error= 3.77D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.319615692291     IErMin= 5 ErrMin= 3.77D-05
 ErrMax= 3.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-06 BMatP= 4.18D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-02-0.490D-01-0.267D-01 0.359D+00 0.715D+00
 Coeff:      0.216D-02-0.490D-01-0.267D-01 0.359D+00 0.715D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.19D-05 MaxDP=1.29D-03 DE=-5.07D-06 OVMax= 3.27D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  9.37D-01  1.13D+00  1.23D+00  1.16D+00  1.15D+00
 E= -607.319616782889     Delta-E=       -0.000001090597 Rises=F Damp=F
 DIIS: error= 1.68D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.319616782889     IErMin= 6 ErrMin= 1.68D-05
 ErrMax= 1.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-07 BMatP= 1.11D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-02-0.263D-01-0.198D-01 0.119D+00 0.358D+00 0.567D+00
 Coeff:      0.157D-02-0.263D-01-0.198D-01 0.119D+00 0.358D+00 0.567D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=3.64D-06 MaxDP=1.83D-04 DE=-1.09D-06 OVMax= 9.59D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.22D-06    CP:  9.37D-01  1.13D+00  1.23D+00  1.17D+00  1.21D+00
                    CP:  1.10D+00
 E= -607.319616910694     Delta-E=       -0.000000127805 Rises=F Damp=F
 DIIS: error= 5.42D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.319616910694     IErMin= 7 ErrMin= 5.42D-06
 ErrMax= 5.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-08 BMatP= 1.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.638D-04 0.119D-02-0.343D-03-0.356D-01-0.266D-01 0.189D+00
 Coeff-Com:  0.872D+00
 Coeff:      0.638D-04 0.119D-02-0.343D-03-0.356D-01-0.266D-01 0.189D+00
 Coeff:      0.872D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.14D-06 MaxDP=1.08D-04 DE=-1.28D-07 OVMax= 5.22D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.61D-07    CP:  9.37D-01  1.13D+00  1.23D+00  1.18D+00  1.25D+00
                    CP:  1.20D+00  1.08D+00
 E= -607.319616927572     Delta-E=       -0.000000016878 Rises=F Damp=F
 DIIS: error= 6.84D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.319616927572     IErMin= 8 ErrMin= 6.84D-07
 ErrMax= 6.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.01D-10 BMatP= 1.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.814D-04 0.179D-02 0.136D-02-0.134D-01-0.237D-01-0.162D-01
 Coeff-Com:  0.135D+00 0.915D+00
 Coeff:     -0.814D-04 0.179D-02 0.136D-02-0.134D-01-0.237D-01-0.162D-01
 Coeff:      0.135D+00 0.915D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=5.07D-07 MaxDP=2.24D-05 DE=-1.69D-08 OVMax= 1.11D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.48D-07    CP:  9.37D-01  1.13D+00  1.23D+00  1.18D+00  1.25D+00
                    CP:  1.21D+00  1.13D+00  1.20D+00
 E= -607.319616928378     Delta-E=       -0.000000000806 Rises=F Damp=F
 DIIS: error= 2.32D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.319616928378     IErMin= 9 ErrMin= 2.32D-07
 ErrMax= 2.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-11 BMatP= 5.01D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-04 0.597D-03 0.553D-03-0.272D-02-0.685D-02-0.235D-01
 Coeff-Com: -0.105D-01 0.348D+00 0.694D+00
 Coeff:     -0.356D-04 0.597D-03 0.553D-03-0.272D-02-0.685D-02-0.235D-01
 Coeff:     -0.105D-01 0.348D+00 0.694D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.34D-07 MaxDP=5.64D-06 DE=-8.06D-10 OVMax= 3.49D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.22D-08    CP:  9.37D-01  1.13D+00  1.23D+00  1.18D+00  1.25D+00
                    CP:  1.21D+00  1.14D+00  1.26D+00  1.08D+00
 E= -607.319616928502     Delta-E=       -0.000000000124 Rises=F Damp=F
 DIIS: error= 1.16D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.319616928502     IErMin=10 ErrMin= 1.16D-07
 ErrMax= 1.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-11 BMatP= 9.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.369D-05-0.827D-05 0.285D-04 0.858D-03 0.879D-03-0.821D-02
 Coeff-Com: -0.210D-01 0.646D-02 0.281D+00 0.740D+00
 Coeff:     -0.369D-05-0.827D-05 0.285D-04 0.858D-03 0.879D-03-0.821D-02
 Coeff:     -0.210D-01 0.646D-02 0.281D+00 0.740D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=5.73D-08 MaxDP=3.09D-06 DE=-1.24D-10 OVMax= 1.56D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.76D-08    CP:  9.37D-01  1.13D+00  1.23D+00  1.18D+00  1.25D+00
                    CP:  1.21D+00  1.14D+00  1.28D+00  1.18D+00  1.17D+00
 E= -607.319616928511     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 5.84D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.319616928511     IErMin=11 ErrMin= 5.84D-08
 ErrMax= 5.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-12 BMatP= 1.48D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.405D-05-0.104D-03-0.813D-04 0.916D-03 0.170D-02-0.791D-03
 Coeff-Com: -0.872D-02-0.546D-01 0.303D-01 0.376D+00 0.656D+00
 Coeff:      0.405D-05-0.104D-03-0.813D-04 0.916D-03 0.170D-02-0.791D-03
 Coeff:     -0.872D-02-0.546D-01 0.303D-01 0.376D+00 0.656D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=1.07D-06 DE=-9.09D-12 OVMax= 6.30D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.13D-08    CP:  9.37D-01  1.13D+00  1.23D+00  1.18D+00  1.25D+00
                    CP:  1.21D+00  1.14D+00  1.27D+00  1.22D+00  1.25D+00
                    CP:  1.06D+00
 E= -607.319616928486     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 1.08D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -607.319616928511     IErMin=12 ErrMin= 1.08D-08
 ErrMax= 1.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-13 BMatP= 3.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-05-0.168D-04-0.193D-04 0.631D-04 0.238D-03 0.483D-03
 Coeff-Com:  0.909D-03-0.107D-01-0.234D-01-0.113D-01 0.127D+00 0.917D+00
 Coeff:      0.104D-05-0.168D-04-0.193D-04 0.631D-04 0.238D-03 0.483D-03
 Coeff:      0.909D-03-0.107D-01-0.234D-01-0.113D-01 0.127D+00 0.917D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=6.51D-09 MaxDP=2.52D-07 DE= 2.50D-11 OVMax= 2.22D-07

 SCF Done:  E(RwB97XD) =  -607.319616928     A.U. after   12 cycles
            NFock= 12  Conv=0.65D-08     -V/T= 2.0057
 KE= 6.039032211764D+02 PE=-2.586489471350D+03 EE= 7.952646536666D+02
 Leave Link  502 at Thu Jul  8 22:46:37 2021, MaxMem= 10737418240 cpu:            1671.1 elap:             104.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.37543759D+02

 Leave Link  801 at Thu Jul  8 22:46:38 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4958 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 2.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 2.64D-01 6.20D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 4.98D-02 4.46D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 4.97D-03 1.36D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 5.74D-04 3.75D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 3.03D-05 9.39D-04.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 1.03D-06 1.67D-04.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 2.92D-08 1.93D-05.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 8.08D-10 2.98D-06.
     11 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 1.66D-11 4.63D-07.
      8 vectors produced by pass 10 Test12= 1.59D-13 8.33D-09 XBig12= 2.56D-13 5.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.877481D+02
      2  0.523756D+00  0.784999D+02
      3  0.253008D+01 -0.953107D+00  0.530021D+02
 Isotropic polarizability for W=    0.088559       73.08 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.113125D+02  0.149728D+02 -0.854710D+01
      2   0.460747D+01 -0.801454D+01  0.556889D+01
      3   0.670501D+01 -0.695823D+01  0.297821D+01
      4   0.170507D+02 -0.331575D+01  0.250795D+00
      5  -0.808258D+01  0.750546D+00 -0.432656D+01
      6  -0.350977D+00  0.119941D+01  0.156659D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.217686D+01 -0.989480D+00 -0.669092D+01
      2  -0.287748D+01 -0.116983D+01 -0.381791D+01
      3  -0.116298D+02 -0.141331D+01 -0.423548D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.499751D+00 -0.436948D+01 -0.226242D+02
      2  -0.464517D+00  0.601772D+00 -0.110316D+02
      3   0.207790D+01  0.792322D+01 -0.110152D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.671750D+00  0.362490D+00  0.201191D+01
      2   0.362490D+00  0.102710D+01  0.919262D+00
      3   0.201191D+01  0.919262D+00  0.228135D+00
 OR G Eigenvalues:    -2.3107     0.4274     2.4667  Iso=    -0.1945
 Eigenvectors:
   (1)   0.763678   0.093013  -0.638862
   (2)  -0.415623   0.828059  -0.376266
   (3)   0.494018   0.552872   0.671028
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1945 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -65.71 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 5.75D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.47D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 6.21D-02 4.90D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 3.60D-03 9.35D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 5.06D-05 1.07D-03.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 1.28D-06 1.50D-04.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 1.97D-08 1.45D-05.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 1.80D-10 1.57D-06.
     30 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 1.38D-12 1.17D-07.
      5 vectors produced by pass  8 Test12= 2.65D-14 2.78D-09 XBig12= 1.05D-14 7.96D-09.
      1 vectors produced by pass  9 Test12= 2.65D-14 2.78D-09 XBig12= 9.65D-16 3.40D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   246 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.67D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.67D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.42D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.877481D+02  0.523756D+00  0.253008D+01
      2   0.523756D+00  0.784999D+02 -0.953107D+00
      3   0.253008D+01 -0.953107D+00  0.530021D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.217686D+01 -0.989480D+00 -0.669092D+01
      2  -0.287748D+01 -0.116983D+01 -0.381791D+01
      3  -0.116298D+02 -0.141331D+01 -0.423548D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.113125D+02  0.149728D+02 -0.854710D+01
      2   0.460747D+01 -0.801454D+01  0.556889D+01
      3   0.670501D+01 -0.695823D+01  0.297821D+01
      4   0.170507D+02 -0.331575D+01  0.250795D+00
      5  -0.808258D+01  0.750546D+00 -0.432656D+01
      6  -0.350977D+00  0.119941D+01  0.156659D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.209525D+01 -0.790936D+00 -0.157314D+00  0.231908D+01  0.202744D+01
      2  -0.790936D+00  0.245511D+01  0.974184D-01  0.202744D+01  0.528143D+01
      3  -0.157314D+00  0.974184D-01  0.541867D+00 -0.985457D-01 -0.359753D+00
                 6             7             8             9            10 
      1  -0.985457D-01 -0.875876D+00  0.548255D+00  0.450239D+00 -0.290406D+01
      2  -0.359753D+00  0.548255D+00 -0.457429D+00  0.242477D+00 -0.223597D+01
      3   0.127614D+00  0.450239D+00  0.242477D+00 -0.544997D+00  0.207624D+00
                11            12            13            14            15 
      1  -0.223597D+01  0.207624D+00 -0.554848D+01 -0.643059D+00  0.109272D+00
      2  -0.119441D+01  0.126030D+00 -0.643059D+00 -0.116617D+02  0.393920D+00
      3   0.126030D+00 -0.587499D+00  0.109272D+00  0.393920D+00 -0.189010D+01
                16            17            18            19            20 
      1   0.338924D+00  0.904181D-01 -0.450110D+00  0.937628D+01 -0.370812D+00
      2   0.904181D-01  0.435725D+00 -0.269632D+01 -0.370812D+00  0.490231D+00
      3  -0.450110D+00 -0.269632D+01  0.489309D+00  0.277273D+00  0.755015D-01
                21            22            23            24            25 
      1   0.277273D+00 -0.243995D+01  0.104794D+01  0.397612D-01  0.115959D+01
      2   0.755015D-01  0.104794D+01 -0.366225D+01  0.115827D+00 -0.274932D+00
      3   0.122822D+01  0.397612D-01  0.115827D+00 -0.128199D+00  0.234742D+01
                26            27            28            29            30 
      1  -0.274932D+00  0.234742D+01  0.411971D+01 -0.855040D+00 -0.809763D+00
      2   0.177662D+00  0.155416D+00 -0.855040D+00 -0.183127D+01 -0.456571D+00
      3   0.155416D+00  0.432156D+00 -0.809763D+00 -0.456571D+00  0.162493D+01
                31            32            33            34            35 
      1  -0.130503D+01 -0.263889D+01  0.680340D-01 -0.182585D+01 -0.955896D+00
      2  -0.263889D+01 -0.245081D+01 -0.388148D+00 -0.955896D+00 -0.555322D-02
      3   0.680340D-01 -0.388148D+00  0.735477D-01  0.173600D+01 -0.539018D+00
                36            37            38            39            40 
      1   0.173600D+01 -0.456653D+01  0.136124D+01  0.508232D+00 -0.778670D+00
      2  -0.539018D+00  0.136124D+01  0.208592D+01  0.384166D-01  0.259880D+01
      3   0.663135D+01  0.508232D+00  0.384166D-01 -0.155867D+01  0.211509D+00
                41            42            43            44            45 
      1   0.259880D+01  0.211509D+00  0.106658D+01 -0.798444D+00 -0.199080D+01
      2  -0.104099D+01  0.495793D+00 -0.798444D+00  0.395703D+00  0.643587D+00
      3   0.495793D+00  0.727306D+00 -0.199080D+01  0.643587D+00 -0.694031D+01
                46            47            48            49            50 
      1   0.663857D+01 -0.269314D+01  0.107996D+01 -0.438518D+01 -0.161968D+01
      2  -0.269314D+01  0.770788D+00 -0.882044D-01 -0.161968D+01  0.302599D+00
      3   0.107996D+01 -0.882044D-01  0.575892D+00 -0.295809D+00 -0.306641D+00
                51            52            53            54            55 
      1  -0.295809D+00  0.178405D+01  0.827565D-01  0.359715D+00 -0.151214D+02
      2  -0.306641D+00  0.827565D-01  0.315778D+00 -0.592621D+00  0.161532D+01
      3  -0.931503D+00  0.359715D+00 -0.592621D+00  0.879306D+00 -0.134313D+01
                56            57            58            59            60 
      1   0.161532D+01 -0.134313D+01  0.196155D+01 -0.219639D+01  0.140125D+00
      2  -0.371264D+01  0.178978D+00 -0.219639D+01  0.194713D+01 -0.342488D+00
      3   0.178978D+00 -0.227755D+01  0.140125D+00 -0.342488D+00  0.886749D+00
                61            62            63            64            65 
      1  -0.206321D+01  0.278118D-01 -0.352780D+01  0.521740D+01  0.155855D+01
      2   0.278118D-01 -0.803566D+00  0.492845D+00  0.155855D+01  0.482389D+01
      3  -0.352780D+01  0.492845D+00 -0.167594D+01  0.540024D+00  0.185371D-01
                66            67            68            69            70 
      1   0.540024D+00  0.852122D+00  0.391022D+01 -0.157310D+00  0.115586D+01
      2   0.185371D-01  0.391022D+01  0.181664D+01  0.480474D+00  0.444187D+00
      3   0.147189D+00 -0.157310D+00  0.480474D+00 -0.339941D+00  0.642292D+00
                71            72            73            74            75 
      1   0.444187D+00  0.642292D+00  0.255553D+01  0.168210D+01  0.247165D+00
      2   0.128179D+01  0.107536D+01  0.168210D+01  0.139480D+01 -0.258541D+00
      3   0.107536D+01  0.166894D+00  0.247165D+00 -0.258541D+00  0.883221D+00
                76            77            78            79            80 
      1   0.242782D+01 -0.168158D+01 -0.376404D+00  0.673239D+00  0.799975D-01
      2  -0.168158D+01  0.739229D+01  0.846197D-01  0.799975D-01  0.283741D+00
      3  -0.376404D+00  0.846197D-01  0.239428D+00 -0.206502D+00  0.120281D+01
                81            82            83            84            85 
      1  -0.206502D+00 -0.828599D+01 -0.149010D+01  0.316299D-01  0.719470D+00
      2   0.120281D+01 -0.149010D+01 -0.130327D+01  0.138052D+00 -0.395285D+00
      3   0.417143D+00  0.316299D-01  0.138052D+00 -0.110781D+00  0.252776D+00
                86            87            88            89            90 
      1  -0.395285D+00  0.252776D+00 -0.220575D+00  0.158833D+00  0.119935D+00
      2  -0.764506D+01  0.101339D+00  0.158833D+00 -0.191073D+00 -0.197522D+01
      3   0.101339D+00 -0.108082D+01  0.119935D+00 -0.197522D+01  0.102180D+00
                91            92            93            94            95 
      1  -0.160039D+01  0.137208D+00 -0.105010D+01  0.223199D+00  0.428405D+00
      2   0.137208D+00 -0.383836D-02  0.760574D-01  0.428405D+00  0.703917D+00
      3  -0.105010D+01  0.760574D-01 -0.135993D+01 -0.588230D-01 -0.113041D+01
                96            97            98            99           100 
      1  -0.588230D-01 -0.145311D+01  0.300354D+00 -0.632969D+00  0.169814D+01
      2  -0.113041D+01  0.300354D+00 -0.186081D+01  0.642216D+00 -0.221013D+00
      3   0.621544D+00 -0.632969D+00  0.642216D+00 -0.806010D+01  0.114402D+01
               101           102           103           104           105 
      1  -0.221013D+00  0.114402D+01 -0.155776D+00 -0.350579D+00  0.617977D-02
      2  -0.130477D+00 -0.222796D-01 -0.350579D+00  0.313533D+00  0.108506D+01
      3  -0.222796D-01  0.140140D+01  0.617977D-02  0.108506D+01  0.288309D+00
               106           107           108           109           110 
      1   0.174302D+01  0.237662D+00  0.103154D+01  0.957785D+01 -0.419369D+00
      2   0.237662D+00  0.155252D+01  0.105202D+00 -0.419369D+00  0.134008D+01
      3   0.103154D+01  0.105202D+00  0.842521D+01 -0.100431D+00 -0.759523D-01
               111           112           113           114           115 
      1  -0.100431D+00 -0.322487D+00  0.370190D+00 -0.727734D-01  0.272766D+00
      2  -0.759523D-01  0.370190D+00 -0.166885D+01  0.964069D-01 -0.100021D+00
      3   0.357441D+00 -0.727734D-01  0.964069D-01 -0.513323D+00 -0.235776D-01
               116           117           118           119           120 
      1  -0.100021D+00 -0.235776D-01  0.206690D+01  0.134024D+01  0.867602D-02
      2   0.226904D+00 -0.523083D+00  0.134024D+01  0.811820D+00  0.481299D-01
      3  -0.523083D+00  0.131339D+00  0.867602D-02  0.481299D-01  0.686681D+00
               121           122           123           124           125 
      1   0.384406D+01  0.104317D+01  0.116331D+00 -0.150936D+00  0.444617D-01
      2   0.104317D+01  0.447255D+01 -0.489676D-01  0.444617D-01 -0.583741D-01
      3   0.116331D+00 -0.489676D-01  0.588323D+00  0.671673D+00  0.375283D+00
               126           127           128           129           130 
      1   0.671673D+00 -0.160782D+01  0.771109D+00 -0.768676D-01  0.198614D+01
      2   0.375283D+00  0.771109D+00 -0.252104D+01 -0.227010D-01 -0.946072D+00
      3   0.944300D-01 -0.768676D-01 -0.227010D-01 -0.295315D+00  0.221235D-01
               131           132           133           134           135 
      1  -0.946072D+00  0.221235D-01 -0.382330D+00  0.518211D-01  0.791923D-01
      2   0.628795D+01 -0.156450D+00  0.518211D-01 -0.537205D+00  0.866160D+00
      3  -0.156450D+00  0.109753D+01  0.791923D-01  0.866160D+00 -0.656183D-01
               136           137           138           139           140 
      1  -0.506891D+01  0.610616D+00 -0.506997D+00  0.602129D+00 -0.954619D+00
      2   0.610616D+00 -0.347570D+01  0.127128D+00 -0.954619D+00 -0.388426D+00
      3  -0.506997D+00  0.127128D+00 -0.125709D+01  0.935534D-01 -0.120580D+00
               141           142           143           144 
      1   0.935534D-01 -0.122213D+01  0.627359D-01 -0.606256D+00
      2  -0.120580D+00  0.627359D-01 -0.755807D+00  0.524904D+00
      3   0.233538D+00 -0.606256D+00  0.524904D+00 -0.482354D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.355185D-01 -0.641055D+00  0.110390D+01 -0.286248D+01  0.107734D+01
      2   0.126538D+01 -0.163322D+01 -0.518189D+01 -0.274634D+01 -0.270755D+00
      3   0.516904D+00 -0.485255D+01  0.824645D+00 -0.841687D+01 -0.603378D+01
                 6             7             8             9            10 
      1   0.786704D+01 -0.125246D+01  0.107440D+02 -0.201998D+01  0.488037D+00
      2   0.296312D+00 -0.144261D+02  0.327586D+01 -0.288058D+01 -0.233068D+00
      3   0.141794D+01  0.303618D+01  0.167128D+01 -0.182269D+01  0.823609D+01
                11            12            13            14            15 
      1   0.352635D+00 -0.694592D+00  0.373411D+00  0.147012D+01 -0.102725D+02
      2   0.283250D+00  0.330615D+01  0.245912D+00  0.570385D+00 -0.175654D+01
      3  -0.783042D+00 -0.698572D+00  0.187053D+02  0.173433D+02 -0.969023D+00
                16            17            18            19            20 
      1   0.164052D+01 -0.718018D+00  0.127915D+01  0.432764D+00 -0.692802D-01
      2  -0.248950D+01 -0.530617D+01  0.115701D+01  0.134237D+01  0.650605D-01
      3  -0.186748D+01 -0.521005D+00  0.521169D+01 -0.237821D+01 -0.804473D+01
                21            22            23            24            25 
      1  -0.204809D+00  0.500347D+00 -0.693998D+00 -0.234575D+01  0.185877D+01
      2   0.921054D+01  0.860077D+00  0.220107D+00 -0.149030D+01  0.525615D+01
      3  -0.172252D+00  0.886400D+00  0.154507D+02 -0.174680D+00 -0.917992D+00
                26            27            28            29            30 
      1   0.125915D+01  0.420719D+00  0.176408D+01  0.722549D+00  0.153826D+01
      2  -0.198305D+01  0.170710D+01 -0.194281D+01  0.109751D+00  0.235061D+01
      3  -0.138107D+01 -0.125221D+01 -0.870278D+00 -0.201607D+01 -0.212715D+00
                31            32            33            34            35 
      1   0.284155D+01  0.163561D+01 -0.156993D+01 -0.362685D-01  0.179597D+01
      2   0.145350D+01 -0.274928D+00 -0.233973D+01 -0.327050D+01 -0.842744D+00
      3   0.610432D+01  0.104803D+01 -0.441464D+00 -0.130446D+00 -0.993968D+00
                36            37            38            39            40 
      1  -0.645115D+00 -0.182493D+01  0.181647D+01 -0.145549D+01  0.106753D+01
      2   0.288815D+01  0.205712D+00 -0.288730D+00  0.263610D+01 -0.115751D+01
      3   0.104779D+01  0.135986D+01 -0.115197D+01  0.515255D+00  0.716179D+01
                41            42            43            44            45 
      1  -0.428885D+00 -0.149126D+01  0.158710D-01  0.203302D+01  0.110652D+01
      2  -0.534176D+00  0.204272D+01 -0.352689D+01 -0.821625D+00  0.311275D+01
      3   0.211910D+01  0.341176D+00  0.281428D+00 -0.535491D+00 -0.402034D+00
                46            47            48            49            50 
      1   0.610176D+00 -0.475489D+01 -0.689010D+00 -0.296741D+01 -0.128830D+01
      2   0.286696D+01  0.219303D+01 -0.844485D+01  0.214908D+01  0.892129D+00
      3  -0.633450D+01  0.662579D+01 -0.122788D+01  0.233347D+01 -0.372991D+01
                51            52            53            54            55 
      1   0.597510D+01  0.267537D+01  0.135602D+02  0.111178D+01 -0.989791D+00
      2   0.186197D+01 -0.136195D+02 -0.294617D+01 -0.535048D+01  0.121362D+01
      3   0.128014D+01 -0.117638D+01  0.531459D+01 -0.784461D+00  0.980070D+01
                56            57            58            59            60 
      1   0.213391D+01  0.458676D-01  0.763350D+00 -0.486142D+00 -0.343081D+01
      2  -0.728127D+00  0.137478D+02 -0.852993D+00  0.838144D+00 -0.164166D+01
      3  -0.198621D+02  0.114766D+01 -0.237115D+01  0.925099D+01 -0.981163D+00
                61            62            63            64            65 
      1  -0.280121D+01  0.120338D+01 -0.108561D+01 -0.820853D+00 -0.285974D+00
      2   0.542876D+01  0.133751D+01  0.489993D+01  0.831192D+00  0.524546D+00
      3   0.846083D+00 -0.437104D+01  0.300600D+01  0.115543D+02 -0.112036D+02
                66            67            68            69            70 
      1  -0.262765D+01 -0.703163D+00 -0.263616D+01 -0.395563D+01 -0.119361D+01
      2   0.389829D+01 -0.713225D+00  0.339674D+00  0.188115D+01 -0.149517D+01
      3   0.504731D+00 -0.380798D+01  0.523401D+01 -0.382317D+00  0.267958D+01
                71            72            73            74            75 
      1   0.309824D+01 -0.172953D+01 -0.153530D+01 -0.786925D+00 -0.279069D+00
      2   0.126738D+01  0.973570D+00  0.276280D+00 -0.577019D+00  0.187937D+01
      3  -0.150240D+01 -0.279297D+00  0.132496D+02  0.788947D+01  0.144589D+01
                76            77            78            79            80 
      1  -0.685716D+00  0.191985D+01 -0.622210D+01 -0.146133D+00  0.103205D+01
      2   0.599353D+00  0.131190D+00 -0.223022D+01 -0.291984D+01 -0.226040D-01
      3   0.948695D+01  0.870096D+01  0.715839D-01  0.227664D+01  0.193273D+01
                81            82            83            84            85 
      1   0.416914D+00  0.387055D+00  0.916905D+00 -0.734418D+00 -0.436130D+00
      2  -0.217717D+00  0.404261D+00 -0.408595D+00  0.359859D+01 -0.373072D+00
      3   0.128660D+01  0.233555D+02 -0.573369D+01 -0.801125D-02  0.550931D+01
                86            87            88            89            90 
      1  -0.881034D+00 -0.773090D+01 -0.191896D+01 -0.249633D+01 -0.310273D+00
      2  -0.211224D+00  0.351423D+00 -0.976900D+00  0.404564D+01  0.485193D+00
      3  -0.853443D+01  0.146675D-01  0.123684D+01 -0.148630D+01 -0.328636D+01
                91            92            93            94            95 
      1   0.250822D-02  0.270032D+00  0.713741D+00  0.413728D+00 -0.734980D+00
      2  -0.193785D+01  0.106140D+00 -0.154343D+00  0.201251D-01 -0.744494D+00
      3  -0.107680D+01 -0.423018D+00 -0.493525D+00  0.930059D+00 -0.445870D+00
                96            97            98            99           100 
      1  -0.562590D-01  0.262504D+00  0.308503D+01  0.260385D+01 -0.213336D+00
      2   0.187301D+00 -0.352395D+01  0.362744D+00 -0.447340D+01 -0.198042D+01
      3   0.653271D+00 -0.999214D+00  0.139024D+01 -0.935444D+00  0.656363D+00
               101           102           103           104           105 
      1   0.322426D+00 -0.699295D+00  0.129067D+00 -0.155673D+00 -0.124591D-01
      2  -0.206962D+00 -0.157654D+00  0.118548D+00 -0.507548D+00 -0.142825D+00
      3  -0.942919D+00  0.530696D+00  0.668677D+00 -0.263973D+00  0.686046D+00
               106           107           108           109           110 
      1  -0.445286D+00  0.301125D+01 -0.307642D+01 -0.722229D+00 -0.407820D-01
      2  -0.406121D+01  0.125949D+00 -0.466679D+01 -0.895996D+00  0.131985D+00
      3   0.649766D+00  0.751363D+00  0.350501D+00 -0.298928D+02  0.770579D+01
               111           112           113           114           115 
      1   0.101597D+01 -0.594636D-01  0.392356D-01 -0.524482D+00  0.216308D+00
      2  -0.295536D+01  0.142548D+00 -0.265816D+00  0.316445D+00 -0.310116D+01
      3   0.305667D+00  0.396736D+01 -0.214019D+01  0.221997D+00 -0.995883D+00
               116           117           118           119           120 
      1   0.476163D+00  0.181951D+00  0.297695D+00 -0.174533D+00 -0.900019D+00
      2   0.505353D+00  0.490793D-01  0.236829D-01 -0.127304D+00  0.101851D+01
      3   0.444974D+00 -0.276480D+00 -0.449934D+01 -0.169195D+01 -0.148179D+00
               121           122           123           124           125 
      1  -0.101962D-01  0.721072D+00  0.326200D-01  0.226107D+00  0.133655D+01
      2   0.861840D-01  0.861188D-01  0.273768D+01  0.400262D+00  0.164893D+01
      3  -0.207525D+01 -0.205519D+02 -0.460206D-01 -0.532149D-01  0.464620D+00
               126           127           128           129           130 
      1   0.442355D-01  0.406598D-01 -0.185091D-01  0.109564D+01 -0.177537D+00
      2   0.486809D-01 -0.533041D+00  0.130152D+00 -0.604757D+00  0.310816D+00
      3  -0.105858D+01 -0.927280D+01  0.596676D+01 -0.116787D+00  0.877344D+01
               131           132           133           134           135 
      1   0.245823D+00 -0.268418D+01 -0.127761D+00 -0.891257D+00  0.142703D+00
      2  -0.316937D+00  0.784218D+00 -0.137354D+01  0.818632D+00  0.136235D+00
      3  -0.121702D+02  0.191368D+00 -0.141287D+01  0.770145D+00 -0.756750D+00
               136           137           138           139           140 
      1   0.204795D+01  0.237025D+00  0.277097D+01  0.547545D+00  0.672305D+00
      2   0.359295D+00 -0.501166D-01  0.235437D+01 -0.143001D+00  0.481305D-01
      3  -0.146673D+02 -0.107350D+02 -0.172049D+01 -0.397725D+01 -0.501387D+01
               141           142           143           144 
      1  -0.800449D-01  0.128889D+01  0.723445D+00  0.108298D+01
      2  -0.857930D+00 -0.179397D+00 -0.172865D+01  0.865879D+00
      3  -0.618146D+00 -0.345304D+01 -0.194867D+01 -0.482784D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.219333D+02  0.350024D+01 -0.116070D+00  0.110024D+01  0.245875D+02
      2   0.126139D+02 -0.589747D+01  0.139284D+01  0.499139D+00 -0.307893D+02
      3   0.931942D+01  0.239722D+01 -0.127677D+01 -0.159938D+01  0.620179D+01
      4  -0.400755D+01  0.786427D+00  0.145968D+00 -0.349301D+01  0.885720D+01
      5  -0.101887D+01 -0.517261D+00 -0.819036D+01 -0.281737D+00  0.245257D+00
      6  -0.250532D+00  0.397410D+00 -0.331787D+01  0.933566D+00 -0.105471D+01
                 6             7             8             9            10 
      1  -0.131899D+01 -0.449612D+01 -0.257844D+01 -0.399522D+01 -0.356411D+01
      2  -0.238424D+00  0.328992D+01  0.260209D+01 -0.708484D+01  0.662459D+01
      3   0.155741D+01  0.120620D+01 -0.236564D-01  0.110801D+02 -0.306048D+01
      4  -0.265395D+00  0.188949D+01 -0.145283D+01  0.328059D+00 -0.208279D+01
      5  -0.174201D+01  0.371352D+01  0.176040D+01 -0.314921D+01  0.405524D+00
      6  -0.955696D+01 -0.582164D+00  0.223880D+01  0.197752D+01 -0.300260D+00
                11            12            13            14            15 
      1  -0.920656D+01  0.275445D+00 -0.142303D+02 -0.364394D+02  0.279628D+00
      2   0.817936D+01 -0.286374D+00  0.888640D+01  0.530938D+02 -0.772948D-01
      3   0.102720D+01  0.109287D-01  0.534389D+01 -0.166544D+02 -0.202333D+00
      4   0.151801D+02 -0.614538D+00  0.143241D+02 -0.258956D+02  0.412598D+00
      5  -0.840116D-01  0.502176D+01  0.105845D+00 -0.124582D+00 -0.350988D+01
      6  -0.295319D-01  0.161710D+01 -0.999949D+00  0.108649D+01  0.158761D+02
                16            17            18            19            20 
      1   0.685568D+00  0.149349D+01 -0.995173D+01  0.661324D+02 -0.215908D+01
      2  -0.104555D+01 -0.126024D+01  0.769893D+01 -0.396240D+02  0.150061D+01
      3   0.359981D+00 -0.233257D+00  0.225280D+01 -0.265084D+02  0.658464D+00
      4  -0.623767D+00  0.350689D+00 -0.723528D+01 -0.386198D+01  0.941188D+01
      5   0.308155D+01 -0.847518D+01  0.117964D+01  0.119056D+01  0.548260D+00
      6   0.918603D+00  0.142593D+02 -0.153381D+01  0.574687D+00 -0.209399D+00
                21            22            23            24            25 
      1   0.127656D+01 -0.102039D+02  0.268635D+01  0.694473D-01  0.405937D+01
      2  -0.849666D+00  0.490476D+01  0.458932D+00  0.202802D+00 -0.316945D+01
      3  -0.426893D+00  0.529916D+01 -0.314528D+01 -0.272249D+00 -0.889914D+00
      4   0.418915D+00  0.115480D+02 -0.178662D+02  0.841735D+00  0.526787D-01
      5   0.176858D+02  0.706894D-01  0.627898D+00 -0.127872D+01  0.193355D+02
      6   0.692184D-01  0.375674D+00 -0.252703D+00  0.427943D+01 -0.207104D+01
                26            27            28            29            30 
      1   0.729078D+00  0.105660D+02 -0.837286D+00  0.391071D+01  0.223848D+01
      2   0.165998D+00 -0.105860D+02  0.828911D+00 -0.936837D+01  0.220357D+01
      3  -0.895076D+00  0.199925D-01  0.837403D-02  0.545766D+01 -0.444206D+01
      4   0.774315D+00 -0.199351D+01 -0.445759D+01 -0.534103D+01 -0.140208D+01
      5   0.211876D+00  0.321601D+01 -0.219527D+01 -0.338063D-01 -0.544968D+00
      6   0.343353D+01 -0.604610D+00  0.917533D+00 -0.178552D+01 -0.551591D+00
                31            32            33            34            35 
      1  -0.251247D+01 -0.177765D+01  0.132942D+01  0.119911D+01 -0.229370D+01
      2  -0.291680D+01 -0.282370D+01 -0.685136D+00  0.176433D+01 -0.433109D+01
      3   0.542927D+01  0.460135D+01 -0.644286D+00 -0.296344D+01  0.662478D+01
      4  -0.978699D+01 -0.122204D+02  0.212705D+00 -0.577954D+01 -0.156877D+00
      5  -0.103906D+00 -0.659501D+00 -0.291702D+01  0.163492D+01  0.120234D+01
      6   0.228923D+00 -0.180296D+00 -0.242205D+01  0.313261D+01 -0.173355D+00
                36            37            38            39            40 
      1   0.102455D+02  0.220533D+01 -0.487708D+01  0.359992D+01  0.326545D+01
      2   0.807724D+01 -0.188607D+01  0.765840D+01  0.149108D+01  0.839514D+00
      3  -0.183227D+02 -0.319260D+00 -0.278132D+01 -0.509100D+01 -0.410496D+01
      4   0.211819D+01  0.224739D+01 -0.470291D+01  0.153311D+00 -0.845055D+01
      5   0.272580D+01  0.188496D+00 -0.630543D+00  0.451308D-01  0.341473D+00
      6   0.849300D+01 -0.117512D+01 -0.115635D+00  0.183667D+01  0.175896D+01
                41            42            43            44            45 
      1  -0.636968D+00 -0.168869D+01  0.565563D+01  0.129973D+01  0.111668D+02
      2  -0.589752D+01 -0.135988D+01  0.858931D+00  0.154658D+01  0.872886D+01
      3   0.653449D+01  0.304857D+01 -0.651456D+01 -0.284631D+01 -0.198956D+02
      4   0.592308D+01  0.587210D+00  0.275711D+01 -0.991373D+00 -0.366208D+01
      5  -0.351132D+00  0.274845D+01  0.121595D+01 -0.197473D+01  0.277769D+01
      6  -0.490996D+00 -0.179314D+01 -0.325099D+01  0.188869D+01 -0.791269D+01
                46            47            48            49            50 
      1  -0.481918D+02  0.386504D+01 -0.216817D+01  0.170013D+02  0.155349D+02
      2   0.305531D+02  0.695145D+00  0.559481D+01 -0.116032D+02 -0.182588D+02
      3   0.176387D+02 -0.456019D+01 -0.342664D+01 -0.539805D+01  0.272385D+01
      4   0.562153D+01 -0.112557D+02  0.114512D+00  0.373884D+01  0.234935D+01
      5  -0.576772D+01  0.105854D+01 -0.130084D+02  0.238737D+01  0.153361D+01
      6  -0.448264D+00 -0.452357D+00  0.269880D+01  0.185264D+01  0.158884D+01
                51            52            53            54            55 
      1   0.975172D+00 -0.106140D+02  0.178888D+01 -0.856518D+01  0.991957D+02
      2  -0.329603D+00  0.788361D+01  0.195444D+00 -0.295770D+01 -0.594585D+02
      3  -0.645569D+00  0.273044D+01 -0.198433D+01  0.115229D+02 -0.397371D+02
      4   0.184008D+01  0.682435D+00 -0.298121D+01  0.136193D+01 -0.228499D+01
      5   0.500250D+01  0.120276D+01  0.476177D+00 -0.713807D+01  0.810372D+01
      6  -0.886778D+01 -0.629198D+00  0.241320D+01 -0.579326D+00  0.275621D+00
                56            57            58            59            60 
      1  -0.852826D+01  0.547908D+01 -0.100683D+02  0.777645D+01 -0.531158D+00
      2   0.639158D+01 -0.563421D+01  0.765689D+01 -0.849966D+00  0.744284D+00
      3   0.213668D+01  0.155126D+00  0.241140D+01 -0.692648D+01 -0.213125D+00
      4   0.236027D+02 -0.498060D+00  0.177513D+02 -0.612577D+01  0.214311D+01
      5  -0.128249D+01  0.239754D+02 -0.105345D+01  0.184040D+01 -0.417426D+01
      6   0.470230D+00 -0.201044D+00  0.940811D+00  0.253565D+00  0.556466D+01
                61            62            63            64            65 
      1   0.891447D+01 -0.141832D+01  0.159547D+02  0.136707D+02 -0.107928D+02
      2  -0.790255D+01  0.501575D+00 -0.146937D+02 -0.557964D+01  0.200007D+02
      3  -0.101191D+01  0.916744D+00 -0.126096D+01 -0.809102D+01 -0.920789D+01
      4  -0.112884D+01  0.412613D+01 -0.286151D+00  0.154899D+02  0.180722D+02
      5   0.259364D+02 -0.190760D+01  0.109862D+02  0.142737D+01  0.896528D-01
      6   0.253502D+01  0.392982D+01  0.108346D+01  0.137208D+01 -0.314059D+00
                66            67            68            69            70 
      1   0.489598D+00 -0.664414D+01  0.378929D+01 -0.306548D+01  0.249542D+01
      2  -0.195864D+01  0.126581D+02  0.320347D+01  0.831970D+00 -0.104075D+01
      3   0.146905D+01 -0.601391D+01 -0.699277D+01  0.223351D+01 -0.145466D+01
      4   0.146222D+01  0.173743D+02  0.190649D+02  0.103226D+01  0.478664D+01
      5   0.734684D+01  0.801318D-02  0.115716D+01  0.343627D+01  0.611923D+01
      6   0.367613D+01 -0.930989D+00  0.281130D+01  0.687423D+01  0.377680D+01
                71            72            73            74            75 
      1  -0.232267D+01 -0.309057D+01 -0.588342D+01 -0.275298D+01 -0.223212D+01
      2   0.562178D+01 -0.147596D+01  0.625289D+01  0.607019D+00 -0.772081D+00
      3  -0.329911D+01  0.456653D+01 -0.369474D+00  0.214596D+01  0.300420D+01
      4   0.403104D+01  0.467885D+01  0.318052D+01  0.199581D+01  0.186618D+01
      5   0.340097D+01  0.151395D+01 -0.157595D+01  0.629100D+00  0.435195D+01
      6   0.701225D+01  0.238477D+01  0.186890D+01 -0.656045D+00  0.378198D+00
                76            77            78            79            80 
      1  -0.199858D+01 -0.194194D+02  0.192556D+01 -0.111530D+01 -0.108749D+01
      2  -0.268531D+01  0.330007D+02  0.123203D+01  0.102573D+01 -0.781433D+00
      3   0.468388D+01 -0.135813D+02 -0.315760D+01  0.895689D-01  0.186893D+01
      4   0.153270D+02 -0.243489D+02 -0.821584D+00  0.139391D+01 -0.317976D+00
      5   0.426539D-01 -0.771197D+00 -0.467234D+01  0.367419D+01 -0.307479D+01
      6  -0.174269D+01  0.704214D+00  0.102013D+02 -0.141140D+01  0.817412D+01
                81            82            83            84            85 
      1  -0.571286D+01  0.106600D+02  0.419442D+01  0.400266D+00 -0.258009D+01
      2   0.171369D+01 -0.299472D+01 -0.193203D+01 -0.617125D+00  0.279460D+01
      3   0.399917D+01 -0.766527D+01 -0.226238D+01  0.216859D+00 -0.214515D+00
      4  -0.312127D+01  0.207304D+02  0.202365D+02 -0.756100D+00  0.832428D+01
      5  -0.280737D+00  0.185896D+00 -0.756437D+00  0.668324D+01 -0.122732D+01
      6   0.641945D+00  0.337833D+00 -0.329661D+00  0.250770D+00 -0.166345D+01
                86            87            88            89            90 
      1  -0.251492D+02  0.300487D+00  0.109979D+00 -0.581092D+00 -0.806672D+01
      2   0.383441D+02 -0.343758D+00 -0.116256D+01  0.182959D+00  0.511480D+01
      3  -0.131949D+02  0.432707D-01  0.105258D+01  0.398133D+00  0.295191D+01
      4   0.196244D+02 -0.137738D+01 -0.153641D+00  0.288153D+00  0.643770D+01
      5  -0.189103D+01  0.175890D+01  0.397034D+01  0.673798D+01 -0.280719D+00
      6  -0.222006D+01  0.142328D+02 -0.364927D-01  0.127537D+02 -0.659909D+00
                91            92            93            94            95 
      1  -0.169225D+01 -0.755653D-01 -0.325197D+01 -0.237464D+00 -0.317938D+01
      2  -0.272149D+01  0.374988D+00 -0.103781D+01 -0.324170D-02  0.397778D+00
      3   0.441374D+01 -0.299423D+00  0.428979D+01  0.240706D+00  0.278160D+01
      4  -0.891620D+00  0.186508D+01 -0.129485D+01  0.262465D+01  0.121730D+01
      5   0.274960D+00 -0.599275D+00  0.484346D+01 -0.170883D+00 -0.616559D+00
      6  -0.175710D+01  0.822437D+00 -0.184358D+01  0.324752D+00 -0.207875D+01
                96            97            98            99           100 
      1   0.183903D+01 -0.369931D+01  0.327010D+01 -0.194191D+02 -0.229052D+01
      2  -0.128611D+01 -0.869396D+00 -0.101340D+01 -0.148529D+02 -0.256510D+01
      3  -0.552915D+00  0.456870D+01 -0.225671D+01  0.342720D+02  0.485562D+01
      4  -0.118983D+01 -0.102019D+01 -0.264323D+01 -0.131927D+00  0.128059D+01
      5   0.551408D+00  0.386302D+01  0.191428D+00 -0.575584D+01  0.383243D+00
      6   0.632407D+01 -0.101267D+01  0.544391D+01 -0.101634D+02  0.153095D+01
               101           102           103           104           105 
      1   0.533808D+00 -0.345063D+01  0.621457D+00 -0.292157D+01 -0.110561D+01
      2  -0.424714D+00 -0.105668D+01 -0.127918D+00 -0.906449D-01  0.183414D+01
      3  -0.109093D+00  0.450731D+01 -0.493539D+00  0.301221D+01 -0.728537D+00
      4   0.233791D+01  0.118325D+01  0.230524D+01 -0.307174D+00 -0.111395D+01
      5   0.267724D+00  0.530149D+01 -0.144820D+00 -0.480873D+00 -0.221151D+00
      6   0.662917D+00  0.156024D+01  0.706329D+00  0.125894D+01  0.616509D+01
               106           107           108           109           110 
      1  -0.541507D+01 -0.204864D+01 -0.211485D+02 -0.121249D+02  0.368676D+01
      2  -0.952989D+00  0.226465D+01 -0.153796D+02  0.610245D+01 -0.448052D+01
      3   0.636806D+01 -0.216006D+00  0.365281D+02  0.602243D+01  0.793755D+00
      4   0.145265D+01 -0.227806D+01  0.996156D+00 -0.176781D+02 -0.126412D+02
      5   0.400663D+01  0.582555D-01 -0.570932D+01 -0.501541D+00  0.423170D+00
      6   0.133168D+01  0.484883D+01  0.898405D+01 -0.488421D+00  0.372838D+00
               111           112           113           114           115 
      1  -0.493663D+00  0.171817D+01 -0.545692D+01  0.335901D+00  0.519397D-01
      2   0.151209D-01 -0.167999D+01  0.746433D+01 -0.309174D+00  0.142422D-01
      3   0.478542D+00 -0.381804D-01 -0.200741D+01 -0.267274D-01 -0.661819D-01
      4   0.448272D+00  0.535216D+00  0.132689D+01  0.110116D+00 -0.357342D+00
      5  -0.544488D+01  0.292134D-01 -0.277576D+00  0.508474D+00  0.352320D+00
      6  -0.130588D+01  0.282457D+00 -0.455277D+00  0.149699D+01 -0.208995D+00
               116           117           118           119           120 
      1   0.679270D+00 -0.220471D+01  0.994681D+01  0.702349D+01  0.601760D-02
      2  -0.637528D+00  0.628059D+00 -0.445648D+01 -0.316947D+01  0.123009D+00
      3  -0.417421D-01  0.157665D+01 -0.549033D+01 -0.385403D+01 -0.129027D+00
      4   0.193994D+00  0.431701D+00  0.801913D+01  0.614528D+01  0.301596D-01
      5   0.793427D+00  0.226747D+00 -0.211489D+00  0.842343D-01  0.235283D+01
      6   0.249586D+01 -0.513856D+00  0.539223D-02  0.555969D-01  0.132031D+01
               121           122           123           124           125 
      1   0.206342D+02  0.474986D+01  0.615301D+00 -0.843806D+00  0.130383D+00
      2  -0.119942D+02 -0.161601D+01 -0.582277D+00  0.387712D+00 -0.276391D+00
      3  -0.864000D+01 -0.313385D+01 -0.330247D-01  0.456094D+00  0.146008D+00
      4   0.722052D+01  0.224546D+02 -0.162866D+00  0.298726D-01 -0.219391D+00
      5   0.521404D+00 -0.307344D+00  0.442029D+01  0.437842D+01  0.270707D+01
      6   0.578993D-01  0.369116D+00 -0.112215D+00  0.656556D+00  0.162264D+01
               126           127           128           129           130 
      1   0.167878D+01 -0.429700D+01  0.938725D+01 -0.675519D+00  0.724320D+01
      2  -0.191079D+01  0.450187D+01 -0.126247D+02  0.189502D+00 -0.697432D+01
      3   0.232012D+00 -0.204866D+00  0.323742D+01  0.486017D+00 -0.268880D+00
      4   0.275893D+01 -0.367765D+01 -0.111820D+01 -0.314840D+00  0.353398D+01
      5   0.233432D+00 -0.262051D+00  0.862627D-01 -0.954397D+00  0.717461D-01
      6   0.798950D-01 -0.715766D+00  0.940562D+00 -0.146492D+01  0.120344D+00
               131           132           133           134           135 
      1  -0.212586D+02  0.738974D+00 -0.473488D+00  0.190575D+01 -0.339708D+01
      2   0.317621D+02 -0.102857D+01  0.531559D+00 -0.219750D+01  0.313539D+01
      3  -0.105035D+02  0.289596D+00 -0.580710D-01  0.291748D+00  0.261691D+00
      4   0.736157D+01 -0.346472D+00 -0.683545D+00 -0.697839D+00  0.736852D+00
      5  -0.684677D+00  0.173600D+01  0.979759D+00  0.913140D+00  0.338642D+00
      6  -0.188383D+01  0.447801D+01 -0.374614D+00  0.552323D+01 -0.659025D+00
               136           137           138           139           140 
      1   0.160012D+02  0.298897D+01  0.199621D+01 -0.345787D+01  0.478143D+01
      2  -0.669042D+01 -0.785977D+01 -0.484064D+00  0.443934D+00 -0.273276D+01
      3  -0.931081D+01  0.487080D+01 -0.151215D+01  0.301393D+01 -0.204866D+01
      4  -0.171033D+02  0.139251D+02 -0.189542D+01  0.487119D+01 -0.891452D+00
      5   0.190321D+01 -0.236217D+00  0.353718D+01 -0.596288D+00  0.760145D+00
      6  -0.174753D+01  0.170220D+00 -0.472255D+01  0.284797D+00 -0.408944D+00
               141           142           143           144 
      1  -0.635931D-01  0.179895D+01  0.166906D+01  0.605207D+00
      2   0.124182D+00 -0.129950D+01 -0.194810D+01 -0.149019D+01
      3  -0.605890D-01 -0.499449D+00  0.279036D+00  0.884985D+00
      4   0.627742D+00 -0.329792D+01  0.197446D+01 -0.341814D+01
      5  -0.164694D+01  0.428362D+01 -0.249701D+01  0.164584D+01
      6   0.261609D+00 -0.224996D+01  0.263534D+01 -0.197117D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 23:03:47 2021, MaxMem= 10737418240 cpu:           16454.4 elap:            1029.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.35937 -19.32974 -19.32475 -19.31214 -19.30371
 Alpha  occ. eigenvalues --  -19.28234 -10.48440 -10.45678 -10.41435 -10.40123
 Alpha  occ. eigenvalues --   -1.26783  -1.23496  -1.19724  -1.17821  -1.16562
 Alpha  occ. eigenvalues --   -1.13800  -0.90895  -0.81484  -0.76066  -0.72488
 Alpha  occ. eigenvalues --   -0.70565  -0.67842  -0.65093  -0.61474  -0.59645
 Alpha  occ. eigenvalues --   -0.59263  -0.56613  -0.55755  -0.54154  -0.52686
 Alpha  occ. eigenvalues --   -0.51613  -0.50631  -0.46041  -0.45783  -0.43857
 Alpha  occ. eigenvalues --   -0.42372  -0.41082  -0.39679  -0.38951
 Alpha virt. eigenvalues --    0.01967   0.03142   0.04324   0.04681   0.04874
 Alpha virt. eigenvalues --    0.05882   0.07100   0.07502   0.09248   0.10580
 Alpha virt. eigenvalues --    0.11017   0.11530   0.12136   0.12481   0.13326
 Alpha virt. eigenvalues --    0.14185   0.14379   0.15308   0.15796   0.16269
 Alpha virt. eigenvalues --    0.17070   0.17454   0.18280   0.18785   0.19086
 Alpha virt. eigenvalues --    0.20630   0.21345   0.22347   0.23587   0.25088
 Alpha virt. eigenvalues --    0.25621   0.26457   0.26779   0.26931   0.27292
 Alpha virt. eigenvalues --    0.27585   0.28651   0.29167   0.29430   0.29797
 Alpha virt. eigenvalues --    0.30650   0.30854   0.31577   0.32561   0.32883
 Alpha virt. eigenvalues --    0.33241   0.33822   0.34338   0.34801   0.35624
 Alpha virt. eigenvalues --    0.36775   0.37475   0.38595   0.38750   0.39431
 Alpha virt. eigenvalues --    0.40164   0.40952   0.41511   0.42968   0.43623
 Alpha virt. eigenvalues --    0.44657   0.45116   0.46242   0.46985   0.47796
 Alpha virt. eigenvalues --    0.49087   0.49452   0.51543   0.52511   0.53643
 Alpha virt. eigenvalues --    0.54493   0.55245   0.56168   0.57061   0.59345
 Alpha virt. eigenvalues --    0.59595   0.61405   0.61863   0.63202   0.64062
 Alpha virt. eigenvalues --    0.64834   0.65848   0.65974   0.67550   0.67912
 Alpha virt. eigenvalues --    0.69368   0.70644   0.72709   0.72818   0.74570
 Alpha virt. eigenvalues --    0.76088   0.76689   0.77685   0.78347   0.78843
 Alpha virt. eigenvalues --    0.81200   0.83693   0.84627   0.85947   0.86352
 Alpha virt. eigenvalues --    0.88146   0.88335   0.89974   0.92269   0.92761
 Alpha virt. eigenvalues --    0.93529   0.94475   0.95725   0.96564   0.99043
 Alpha virt. eigenvalues --    1.00604   1.01292   1.02821   1.03400   1.04548
 Alpha virt. eigenvalues --    1.06094   1.08364   1.08895   1.09655   1.10680
 Alpha virt. eigenvalues --    1.11153   1.12428   1.14237   1.14829   1.16645
 Alpha virt. eigenvalues --    1.18543   1.19070   1.20319   1.23454   1.24085
 Alpha virt. eigenvalues --    1.24817   1.25741   1.27310   1.27672   1.32649
 Alpha virt. eigenvalues --    1.34309   1.35420   1.36678   1.37350   1.39398
 Alpha virt. eigenvalues --    1.41156   1.41934   1.43190   1.47258   1.48856
 Alpha virt. eigenvalues --    1.51026   1.51816   1.52215   1.54722   1.56367
 Alpha virt. eigenvalues --    1.58379   1.59618   1.61010   1.62838   1.65348
 Alpha virt. eigenvalues --    1.66839   1.68499   1.69208   1.71552   1.74697
 Alpha virt. eigenvalues --    1.76929   1.79942   1.81368   1.82741   1.84244
 Alpha virt. eigenvalues --    1.85209   1.88188   1.89092   1.90518   1.92195
 Alpha virt. eigenvalues --    1.94782   1.95188   1.97996   2.00604   2.01876
 Alpha virt. eigenvalues --    2.04014   2.07756   2.08049   2.09971   2.12765
 Alpha virt. eigenvalues --    2.15295   2.15864   2.17683   2.20757   2.23028
 Alpha virt. eigenvalues --    2.25580   2.28962   2.30314   2.35498   2.37403
 Alpha virt. eigenvalues --    2.39377   2.40276   2.44086   2.46317   2.49539
 Alpha virt. eigenvalues --    2.51765   2.56022   2.59796   2.60284   2.61487
 Alpha virt. eigenvalues --    2.64326   2.68422   2.73732   2.78288   2.83559
 Alpha virt. eigenvalues --    2.90868   2.93353   3.01304   3.05156   3.07869
 Alpha virt. eigenvalues --    3.13282   3.19931   3.22999   3.33374   3.37175
 Alpha virt. eigenvalues --    3.39812   3.40779   3.42768   3.43583   3.45936
 Alpha virt. eigenvalues --    3.46169   3.47456   3.49631   3.50785   3.51223
 Alpha virt. eigenvalues --    3.51762   3.53087   3.53376   3.54521   3.58167
 Alpha virt. eigenvalues --    3.58530   3.61279   3.65465   3.67410   3.71079
 Alpha virt. eigenvalues --    3.74333   3.76569   3.82150   3.86420   3.89189
 Alpha virt. eigenvalues --    3.90849   4.03920   4.12677   4.14371   4.18253
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.931947   0.346842  -0.098274  -0.420272  -0.288608   0.005113
     2  O    0.346842   8.389722  -0.156418  -0.014279   0.020946  -0.007963
     3  O   -0.098274  -0.156418   8.325599   0.065995   0.016621  -0.003018
     4  C   -0.420272  -0.014279   0.065995   5.812489   0.193233  -0.262229
     5  C   -0.288608   0.020946   0.016621   0.193233   5.770702  -0.354797
     6  C    0.005113  -0.007963  -0.003018  -0.262229  -0.354797   5.814711
     7  O   -0.006560  -0.001521   0.000402   0.022254  -0.029419   0.385226
     8  O    0.022631  -0.008398  -0.048602  -0.182693   0.148252  -0.001684
     9  O    0.011365  -0.002733  -0.002161   0.069076  -0.078822   0.042376
    10  O   -0.013778  -0.046198  -0.003137   0.025768   0.107134  -0.098841
    11  H   -0.139827  -0.003074   0.031869  -0.079983   0.024989  -0.019694
    12  H   -0.022177   0.013308   0.004349  -0.017163  -0.052026  -0.081351
    13  H   -0.057187   0.050869   0.005061   0.016931  -0.033826  -0.105994
    14  H   -0.033562   0.021026   0.307039  -0.059316  -0.011600   0.000338
    15  H   -0.008243   0.001349   0.002135   0.024438  -0.057132  -0.004101
    16  H   -0.002022   0.000634   0.000369   0.020437  -0.070249  -0.065647
               7          8          9         10         11         12
     1  C   -0.006560   0.022631   0.011365  -0.013778  -0.139827  -0.022177
     2  O   -0.001521  -0.008398  -0.002733  -0.046198  -0.003074   0.013308
     3  O    0.000402  -0.048602  -0.002161  -0.003137   0.031869   0.004349
     4  C    0.022254  -0.182693   0.069076   0.025768  -0.079983  -0.017163
     5  C   -0.029419   0.148252  -0.078822   0.107134   0.024989  -0.052026
     6  C    0.385226  -0.001684   0.042376  -0.098841  -0.019694  -0.081351
     7  O    8.251669  -0.000917  -0.051176  -0.121211   0.001900   0.009285
     8  O   -0.000917   8.389211  -0.035060  -0.000584  -0.066170  -0.004486
     9  O   -0.051176  -0.035060   8.473840  -0.021034  -0.029535  -0.133066
    10  O   -0.121211  -0.000584  -0.021034   8.403563  -0.004962  -0.017547
    11  H    0.001900  -0.066170  -0.029535  -0.004962   1.439442   0.105458
    12  H    0.009285  -0.004486  -0.133066  -0.017547   0.105458   1.431425
    13  H    0.019312   0.003031   0.001701   0.235868   0.005538   0.011282
    14  H    0.000023   0.038260  -0.000400  -0.000425  -0.001709  -0.000266
    15  H    0.000288   0.339330   0.017768   0.001097  -0.030405   0.002670
    16  H    0.047831   0.001204   0.316572   0.005357   0.010478   0.017051
              13         14         15         16
     1  C   -0.057187  -0.033562  -0.008243  -0.002022
     2  O    0.050869   0.021026   0.001349   0.000634
     3  O    0.005061   0.307039   0.002135   0.000369
     4  C    0.016931  -0.059316   0.024438   0.020437
     5  C   -0.033826  -0.011600  -0.057132  -0.070249
     6  C   -0.105994   0.000338  -0.004101  -0.065647
     7  O    0.019312   0.000023   0.000288   0.047831
     8  O    0.003031   0.038260   0.339330   0.001204
     9  O    0.001701  -0.000400   0.017768   0.316572
    10  O    0.235868  -0.000425   0.001097   0.005357
    11  H    0.005538  -0.001709  -0.030405   0.010478
    12  H    0.011282  -0.000266   0.002670   0.017051
    13  H    0.613419  -0.000411  -0.000423  -0.000849
    14  H   -0.000411   0.555435  -0.000062  -0.000098
    15  H   -0.000423  -0.000062   0.563731   0.002066
    16  H   -0.000849  -0.000098   0.002066   0.580355
 Mulliken charges:
               1
     1  C    0.772612
     2  O   -0.604113
     3  O   -0.447828
     4  C    0.785313
     5  C    0.694601
     6  C    0.757556
     7  O   -0.527387
     8  O   -0.593323
     9  O   -0.578710
    10  O   -0.451070
    11  H   -0.244316
    12  H   -0.266746
    13  H    0.235678
    14  H    0.185727
    15  H    0.145494
    16  H    0.136511
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.772612
     2  O   -0.604113
     3  O   -0.262101
     4  C    0.540998
     5  C    0.427855
     6  C    0.757556
     7  O   -0.527387
     8  O   -0.447829
     9  O   -0.442199
    10  O   -0.215391
 Electronic spatial extent (au):  <R**2>=           1454.8235
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.6125    Y=              2.9580    Z=             -0.2212  Tot=              3.9526
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -67.5864   YY=            -61.4619   ZZ=            -54.6781
   XY=              1.6574   XZ=             -2.1505   YZ=             -1.1665
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.3443   YY=             -0.2198   ZZ=              6.5641
   XY=              1.6574   XZ=             -2.1505   YZ=             -1.1665
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             31.9365  YYY=             17.0100  ZZZ=             -0.1980  XYY=              1.8964
  XXY=             23.3054  XXZ=              1.5438  XZZ=              0.6599  YZZ=             -0.1519
  YYZ=             -2.2706  XYZ=              1.5547
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1156.6145 YYYY=           -548.0308 ZZZZ=            -72.6306 XXXY=              6.9727
 XXXZ=             -9.0204 YYYX=             10.9463 YYYZ=             -5.9551 ZZZX=             -0.8907
 ZZZY=             -0.5800 XXYY=           -283.6729 XXZZ=           -191.0164 YYZZ=           -108.6930
 XXYZ=             -2.8776 YYXZ=              2.1381 ZZXY=             -0.4265
 N-N= 5.800019795783D+02 E-N=-2.586489471203D+03  KE= 6.039032211764D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 23:03:48 2021, MaxMem= 10737418240 cpu:               6.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.01689278D+00 1.18412649D+00-9.38804386D-02
 Polarizability= 8.17975500D+01 4.85168438D-01 7.24905273D+01
                 2.31743696D+00-9.28608424D-01 4.74490445D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2656   -1.2650        0.2627    0.2619
 2      1.2656    1.2650        0.4762    0.4766       -4.6257   -4.6241
 3     -0.2627   -0.2619       17.3770   17.3730       -0.4761   -0.4766
 4     -0.4762   -0.4766        0.0000    0.0000       -0.2630   -0.2619
 5    -12.7513  -12.7489        0.2630    0.2619       -1.2654   -1.2650
 6      0.4761    0.4766        1.2654    1.2650        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.7951    3.7951        0.7856    0.7856
 2     -1.4297   -1.4297       -0.0000    0.0000        0.7856    0.7856
 3     -1.4297   -1.4297        3.7951    3.7951        0.0000    0.0000
 4      3.7951    3.7951        1.4297    1.4297      -13.8724  -13.8724
 5     -0.7856   -0.7856       52.1190   52.1190       -1.4297   -1.4297
 6    -38.2467  -38.2467        0.7856    0.7856       -3.7951   -3.7951
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1345    0.0000        5.2629    5.0602       -1.1179   -1.0475
 2     -5.3591   -5.0602       -1.8522   -1.9062       17.9696   18.4965
 3      0.9285    1.0475      -69.3410  -69.4920        2.0467    1.9062
 4      1.7790    1.9062        0.1930    0.0000        1.3362    1.0475
 5     50.8800   50.9955       -1.0363   -1.0475        4.9777    5.0602
 6     -1.8663   -1.9062       -5.0682   -5.0602        0.0062    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1177    0.0000      -18.3593  -18.3208        3.7253    3.8670
 2     18.3538   18.3208       -5.0647   -5.2312        7.0461    6.6934
 3     -4.0990   -3.8670       -5.0247   -5.2008        4.5039    5.2312
 4      5.3012    5.2312       -0.0488    0.0000       -4.1053   -3.8670
 5     -1.7210   -1.4926        4.0028    3.8670      -18.3676  -18.3208
 6     -5.2185   -5.2312       18.4880   18.3208        0.2098    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.2530   -2.0975       -1.1191   -1.3848       -9.1410   -9.2820
 2      0.9711    1.0108      -21.8827  -21.9310       -9.4693   -9.2820
 3      0.9348    1.0108       -1.1866   -1.3848      -14.1712  -14.1160
 4     20.4600   20.5462       -3.2608   -3.1084       -0.3890   -0.2040
 5     -5.0592   -4.8340       -2.5841   -3.2025        2.7543    3.1084
 6      3.1292    3.4066        4.8463    4.8340      -20.9335  -20.5462
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.7795   -6.4224   -4.2787    0.0006    0.0006    0.0011
 Low frequencies ---   52.7945   70.0663   99.8989
 Diagonal vibrational polarizability:
       47.2791011      32.1767939      43.1856938
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     52.7868                70.0659                99.8988
 Red. masses --      8.9078                 9.1139                11.6971
 Frc consts  --      0.0146                 0.0264                 0.0688
 IR Inten    --      0.4862                 2.4131                 1.9607
 RamAct Fr= 1--      0.4223                 0.0683                 0.7906
  Dep-P Fr= 1--      0.7489                 0.3077                 0.7477
  Dep-U Fr= 1--      0.8564                 0.4706                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0603                 0.0054                 0.1127
 AlphaG Fr= 1--     -0.0001                -0.0009                 0.0015
 Gamma2 Fr= 1--     -0.0984                 0.0141                 0.1301
 Delta2 Fr= 1--      0.0540                 0.0335                -0.0202
 Raman1 Fr= 1--       1.689                  0.273                  3.162
 ROA1   Fr= 1--      -7.720                  2.431                 11.843
 CID1   Fr= 1--      -4.570                  8.903                  3.745
 Raman2 Fr= 1--       0.723                  0.064                  1.353
 ROA2   Fr= 1--      -2.794                  0.071                  3.284
 CID2   Fr= 1--      -3.863                  1.113                  2.428
 Raman3 Fr= 1--       1.447                  0.128                  2.706
 ROA3   Fr= 1--      -7.720                  2.431                 11.843
 CID3   Fr= 1--      -5.337                 18.918                  4.377
 RC180  Fr= 1--       0.713                 -0.059                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.01   0.01  -0.07    -0.03   0.00  -0.11
     2   8     0.02  -0.04  -0.30    -0.02   0.00  -0.22    -0.02  -0.02  -0.41
     3   8    -0.05   0.03   0.45     0.03  -0.06  -0.12    -0.06   0.01   0.22
     4   6     0.02  -0.02  -0.09     0.06   0.08   0.11    -0.02   0.02  -0.05
     5   6     0.03   0.01  -0.07    -0.05   0.07  -0.11     0.03   0.00   0.05
     6   6    -0.01   0.00   0.06    -0.02  -0.01   0.05     0.05  -0.00   0.03
     7   8    -0.07  -0.00   0.37    -0.05  -0.08   0.10     0.14  -0.00  -0.38
     8   8     0.01   0.01  -0.16     0.06  -0.02   0.44    -0.01   0.02  -0.10
     9   8     0.03  -0.00  -0.14    -0.05   0.00  -0.42    -0.01   0.01   0.19
    10   8     0.03   0.01  -0.15     0.01  -0.00   0.22    -0.04  -0.02   0.51
    11   1     0.02  -0.09  -0.09     0.20   0.31   0.09    -0.10   0.02  -0.04
    12   1     0.06   0.08  -0.07    -0.18   0.27  -0.08     0.10  -0.06   0.04
    13   1     0.04   0.00  -0.32     0.02   0.03   0.06    -0.04  -0.05   0.30
    14   1    -0.08   0.03   0.54     0.06  -0.06   0.03    -0.08   0.01   0.34
    15   1    -0.02  -0.00  -0.11     0.22   0.07   0.23    -0.06   0.00   0.03
    16   1    -0.03   0.02   0.12    -0.08  -0.03  -0.26     0.08  -0.04  -0.16
                      4                      5                      6
                      A                      A                      A
 Frequencies --    247.2102               249.5725               328.4968
 Red. masses --      8.0659                 6.4189                 5.5313
 Frc consts  --      0.2904                 0.2356                 0.3517
 IR Inten    --     30.6089                10.9704                17.5436
 RamAct Fr= 1--      0.0288                 1.1318                 0.2603
  Dep-P Fr= 1--      0.7352                 0.7234                 0.5899
  Dep-U Fr= 1--      0.8474                 0.8395                 0.7420
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0008
 Beta2  Fr= 1--      0.0041                 0.1584                 0.0322
 AlphaG Fr= 1--     -0.0003                 0.0031                -0.0030
 Gamma2 Fr= 1--      0.0088                -0.2266                -0.0352
 Delta2 Fr= 1--      0.0182                -0.1010                 0.0250
 Raman1 Fr= 1--       0.115                  4.527                  1.041
 ROA1   Fr= 1--       1.426                -24.982                 -2.579
 CID1   Fr= 1--      12.381                 -5.518                 -2.478
 Raman2 Fr= 1--       0.049                  1.900                  0.386
 ROA2   Fr= 1--       0.065                 -4.630                 -1.045
 CID2   Fr= 1--       1.325                 -2.436                 -2.705
 Raman3 Fr= 1--       0.098                  3.801                  0.773
 ROA3   Fr= 1--       1.426                -24.982                 -2.579
 CID3   Fr= 1--      14.611                 -6.573                 -3.339
 RC180  Fr= 1--       0.695                  0.679                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.00   0.01     0.00  -0.13   0.06     0.05   0.04   0.10
     2   8    -0.26   0.03   0.02     0.22  -0.21  -0.09    -0.04   0.06  -0.11
     3   8    -0.14  -0.22   0.01    -0.04   0.09  -0.06     0.12  -0.10  -0.04
     4   6    -0.04   0.13   0.03    -0.14  -0.16   0.19     0.04   0.02   0.26
     5   6    -0.02   0.17   0.07    -0.13   0.11   0.19     0.01  -0.01   0.24
     6   6     0.16  -0.03   0.03    -0.01   0.11   0.08     0.02  -0.04   0.10
     7   8     0.12  -0.18  -0.01    -0.02  -0.00  -0.07     0.09   0.11  -0.04
     8   8     0.18   0.04  -0.07    -0.09  -0.13  -0.04    -0.02   0.17  -0.12
     9   8    -0.20   0.07   0.03    -0.01   0.12  -0.07    -0.07  -0.14  -0.13
    10   8     0.33   0.04  -0.08     0.18   0.16  -0.05    -0.15  -0.08  -0.09
    11   1    -0.10   0.13   0.04    -0.23  -0.29   0.19    -0.12  -0.19   0.27
    12   1    -0.00   0.24   0.07    -0.23   0.27   0.20    -0.15   0.19   0.27
    13   1     0.37   0.13  -0.08     0.18   0.17  -0.01    -0.16  -0.14  -0.04
    14   1     0.05  -0.24  -0.02    -0.23   0.11  -0.01     0.24  -0.12  -0.03
    15   1     0.33   0.15  -0.13    -0.05  -0.12  -0.20    -0.08   0.09  -0.38
    16   1    -0.15  -0.12  -0.03     0.02   0.15  -0.21    -0.04  -0.31  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.2066               367.6159               393.3612
 Red. masses --      6.0937                 4.2151                 5.0978
 Frc consts  --      0.4328                 0.3356                 0.4647
 IR Inten    --      7.8430                 6.3529                24.0388
 RamAct Fr= 1--      3.4970                 1.7191                 0.9368
  Dep-P Fr= 1--      0.1400                 0.4619                 0.3960
  Dep-U Fr= 1--      0.2455                 0.6319                 0.5673
 Alpha2 Fr= 1--      0.0554                 0.0100                 0.0070
 Beta2  Fr= 1--      0.1431                 0.1810                 0.0886
 AlphaG Fr= 1--      0.0275                -0.0109                -0.0140
 Gamma2 Fr= 1--      0.1463                 0.0707                 0.3010
 Delta2 Fr= 1--      0.0810                 0.0816                 0.0620
 Raman1 Fr= 1--      13.988                  6.876                  3.747
 ROA1   Fr= 1--      16.633                  9.401                 30.885
 CID1   Fr= 1--       1.189                  1.367                  8.242
 Raman2 Fr= 1--       1.717                  2.173                  1.063
 ROA2   Fr= 1--       2.863                  1.044                  6.729
 CID2   Fr= 1--       1.667                  0.480                  6.331
 Raman3 Fr= 1--       3.435                  4.345                  2.126
 ROA3   Fr= 1--      16.633                  9.401                 30.885
 CID3   Fr= 1--       4.843                  2.164                 14.529
 RC180  Fr= 1--      -0.509                  0.264                  0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.00   0.02    -0.08   0.01  -0.04    -0.04   0.07   0.05
     2   8     0.15  -0.00  -0.02     0.00  -0.02   0.02    -0.09   0.08  -0.04
     3   8     0.17  -0.03   0.03    -0.16   0.24  -0.00    -0.04   0.07  -0.02
     4   6     0.07   0.03   0.01    -0.04  -0.01  -0.01    -0.01   0.02   0.14
     5   6    -0.11   0.07  -0.04     0.05   0.00   0.06    -0.04  -0.03   0.09
     6   6    -0.16   0.03  -0.05     0.06  -0.03   0.05    -0.10  -0.08  -0.03
     7   8    -0.21  -0.09  -0.02     0.12   0.10  -0.00    -0.14  -0.23  -0.04
     8   8     0.27  -0.05  -0.06     0.20  -0.14   0.03     0.11   0.02  -0.05
     9   8    -0.27   0.04   0.13    -0.05  -0.08  -0.05     0.31   0.12  -0.02
    10   8    -0.10   0.04   0.02    -0.09  -0.08  -0.04    -0.03  -0.09  -0.01
    11   1     0.12   0.02   0.00    -0.11   0.11   0.02    -0.09  -0.04   0.15
    12   1    -0.12  -0.01  -0.04     0.07   0.07   0.06    -0.20  -0.06   0.12
    13   1    -0.11   0.06   0.03    -0.11  -0.17   0.01    -0.02  -0.02  -0.03
    14   1     0.20  -0.04  -0.00    -0.40   0.27  -0.04    -0.07   0.08  -0.04
    15   1     0.57   0.13  -0.40     0.55   0.07  -0.34     0.29   0.10  -0.43
    16   1    -0.21  -0.09  -0.03    -0.06  -0.21   0.05     0.22   0.50   0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    447.1017               500.8361               517.3522
 Red. masses --      1.2702                 6.0153                 1.4087
 Frc consts  --      0.1496                 0.8890                 0.2221
 IR Inten    --    158.8246                13.2636                51.6253
 RamAct Fr= 1--      0.9977                 4.9637                 0.8731
  Dep-P Fr= 1--      0.7488                 0.5554                 0.3154
  Dep-U Fr= 1--      0.8563                 0.7142                 0.4796
 Alpha2 Fr= 1--      0.0000                 0.0184                 0.0085
 Beta2  Fr= 1--      0.1424                 0.5908                 0.0698
 AlphaG Fr= 1--      0.0002                 0.0273                 0.0314
 Gamma2 Fr= 1--     -0.0073                -0.2293                 0.4502
 Delta2 Fr= 1--      0.3828                -0.5311                 0.1193
 Raman1 Fr= 1--       3.991                 19.855                  3.493
 ROA1   Fr= 1--      11.554                -39.012                 47.041
 CID1   Fr= 1--       2.895                 -1.965                 13.469
 Raman2 Fr= 1--       1.709                  7.090                  0.838
 ROA2   Fr= 1--      -3.237                 -1.255                  9.851
 CID2   Fr= 1--      -1.894                 -0.177                 11.762
 Raman3 Fr= 1--       3.418                 14.180                  1.675
 ROA3   Fr= 1--      11.554                -39.012                 47.041
 CID3   Fr= 1--       3.381                 -2.751                 28.083
 RC180  Fr= 1--       0.713                  0.428                 -0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.07   0.14  -0.11    -0.01   0.00   0.03
     2   8     0.01   0.00   0.00    -0.14   0.23  -0.00    -0.00  -0.01  -0.01
     3   8    -0.01   0.02  -0.02     0.10   0.02   0.05    -0.01   0.00  -0.01
     4   6    -0.00   0.01   0.03    -0.04  -0.10  -0.06    -0.00  -0.00   0.04
     5   6    -0.01   0.01   0.03    -0.01  -0.13   0.13    -0.01  -0.04  -0.01
     6   6    -0.01  -0.01   0.00    -0.11   0.06   0.12    -0.00   0.02  -0.07
     7   8    -0.01  -0.01  -0.01    -0.10   0.03  -0.06    -0.02   0.03  -0.02
     8   8     0.09  -0.01  -0.07     0.01  -0.22   0.01     0.02   0.01  -0.02
     9   8    -0.01   0.01  -0.03     0.04  -0.21  -0.03    -0.00  -0.08  -0.04
    10   8    -0.02  -0.02  -0.00     0.13   0.18  -0.01     0.05   0.06   0.04
    11   1    -0.05  -0.01   0.04    -0.23  -0.03  -0.02     0.00  -0.03   0.04
    12   1    -0.07   0.03   0.04     0.08  -0.04   0.11    -0.06  -0.15   0.01
    13   1    -0.02  -0.02  -0.01     0.17   0.38   0.02     0.06   0.09  -0.01
    14   1    -0.03   0.03   0.10     0.16   0.02  -0.00    -0.01   0.00   0.00
    15   1    -0.20  -0.10   0.95     0.10  -0.14   0.10     0.03   0.02  -0.01
    16   1    -0.01   0.02  -0.01     0.15  -0.27  -0.47    -0.24   0.03   0.93
                     13                     14                     15
                      A                      A                      A
 Frequencies --    559.5717               595.9212               661.8145
 Red. masses --      2.9476                 7.0575                 3.6673
 Frc consts  --      0.5438                 1.4767                 0.9464
 IR Inten    --     24.9640                 3.6175                32.4642
 RamAct Fr= 1--      1.1562                 1.2984                 0.7648
  Dep-P Fr= 1--      0.0956                 0.2457                 0.6506
  Dep-U Fr= 1--      0.1746                 0.3945                 0.7883
 Alpha2 Fr= 1--      0.0205                 0.0156                 0.0014
 Beta2  Fr= 1--      0.0336                 0.0854                 0.1005
 AlphaG Fr= 1--     -0.0325                -0.0081                 0.0022
 Gamma2 Fr= 1--     -0.1806                 0.1173                -0.4827
 Delta2 Fr= 1--      0.1010                 0.2811                -0.4038
 Raman1 Fr= 1--       4.625                  5.194                  3.059
 ROA1   Fr= 1--     -14.110                 20.254                -59.266
 CID1   Fr= 1--      -3.051                  3.900                -19.373
 Raman2 Fr= 1--       0.404                  1.024                  1.206
 ROA2   Fr= 1--      -5.143                  0.565                 -8.355
 CID2   Fr= 1--     -12.739                  0.552                 -6.929
 Raman3 Fr= 1--       0.807                  2.049                  2.412
 ROA3   Fr= 1--     -14.110                 20.254                -59.266
 CID3   Fr= 1--     -17.474                  9.886                -24.576
 RC180  Fr= 1--      -0.651                 -0.211                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.15    -0.06  -0.11  -0.21    -0.05   0.08  -0.12
     2   8     0.07   0.04   0.05     0.13  -0.18   0.09     0.15   0.03   0.04
     3   8     0.06  -0.07   0.07    -0.15  -0.03   0.05    -0.04  -0.10   0.06
     4   6    -0.09   0.03  -0.11     0.06   0.15  -0.08    -0.15   0.09   0.05
     5   6    -0.01   0.08   0.11     0.11  -0.05   0.13    -0.15  -0.08   0.01
     6   6     0.00  -0.02   0.14    -0.13   0.05   0.14    -0.01  -0.07  -0.16
     7   8     0.05  -0.05  -0.07    -0.14  -0.08  -0.08     0.01   0.16   0.07
     8   8    -0.05  -0.07   0.03     0.08   0.29   0.04     0.04  -0.00  -0.02
     9   8    -0.00   0.10  -0.06     0.09  -0.20  -0.03     0.04  -0.01  -0.01
    10   8    -0.06  -0.07  -0.05    -0.01   0.13  -0.04     0.08  -0.09   0.06
    11   1    -0.27   0.18  -0.07    -0.11   0.46  -0.01    -0.37   0.23   0.10
    12   1     0.14   0.25   0.08     0.26   0.02   0.11    -0.42  -0.23   0.06
    13   1    -0.09  -0.12   0.07    -0.02   0.13   0.15     0.12   0.02  -0.08
    14   1     0.20  -0.10  -0.06    -0.12  -0.04  -0.19     0.25  -0.15  -0.30
    15   1     0.04  -0.00   0.07    -0.03   0.21   0.00     0.15   0.09   0.01
    16   1    -0.19   0.20   0.70     0.14  -0.23  -0.20     0.10   0.12  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    718.3197               755.9042               760.8162
 Red. masses --      1.1295                 5.8363                 7.7754
 Frc consts  --      0.3434                 1.9648                 2.6517
 IR Inten    --     62.2162                 3.6560                11.2721
 RamAct Fr= 1--      0.4973                 0.4547                 6.9961
  Dep-P Fr= 1--      0.6914                 0.0724                 0.0721
  Dep-U Fr= 1--      0.8176                 0.1349                 0.1346
 Alpha2 Fr= 1--      0.0005                 0.0085                 0.1311
 Beta2  Fr= 1--      0.0678                 0.0102                 0.1569
 AlphaG Fr= 1--      0.0115                -0.0188                 0.0050
 Gamma2 Fr= 1--      0.0041                 0.0479                 0.3566
 Delta2 Fr= 1--      0.1021                 0.0181                -0.1007
 Raman1 Fr= 1--       1.989                  1.819                 27.984
 ROA1   Fr= 1--       3.659                  5.180                 31.013
 CID1   Fr= 1--       1.840                  2.848                  1.108
 Raman2 Fr= 1--       0.813                  0.123                  1.883
 ROA2   Fr= 1--      -0.719                  1.006                  9.364
 CID2   Fr= 1--      -0.885                  8.197                  4.973
 Raman3 Fr= 1--       1.626                  0.245                  3.766
 ROA3   Fr= 1--       3.659                  5.180                 31.013
 CID3   Fr= 1--       2.250                 21.105                  8.235
 RC180  Fr= 1--       0.635                 -0.730                 -0.731
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.02    -0.10   0.11   0.29    -0.19   0.23   0.23
     2   8     0.02   0.00   0.03     0.11   0.02  -0.08     0.26   0.11  -0.06
     3   8     0.00  -0.03  -0.06    -0.09  -0.06  -0.05    -0.15  -0.15  -0.06
     4   6    -0.02   0.02  -0.02     0.01   0.02  -0.11    -0.11   0.07  -0.03
     5   6    -0.01  -0.01   0.00    -0.03  -0.04  -0.12     0.13   0.04  -0.01
     6   6    -0.02  -0.01   0.01    -0.20  -0.13   0.31     0.16   0.17  -0.08
     7   8    -0.00   0.02  -0.00    -0.05   0.16  -0.10     0.04  -0.21   0.04
     8   8     0.00   0.01  -0.01     0.04   0.00   0.02    -0.04  -0.13  -0.01
     9   8     0.01  -0.01  -0.00     0.02   0.01   0.02     0.05  -0.12   0.01
    10   8     0.02  -0.01   0.00     0.13  -0.12  -0.05    -0.19   0.17  -0.01
    11   1    -0.02   0.04  -0.01     0.40  -0.15  -0.19    -0.05  -0.11  -0.05
    12   1    -0.01  -0.01   0.00     0.36   0.12  -0.19     0.19  -0.07  -0.01
    13   1     0.02   0.01  -0.02     0.19   0.16   0.03    -0.26  -0.20   0.05
    14   1    -0.11   0.01   0.98     0.17  -0.10  -0.24     0.39  -0.22   0.11
    15   1     0.07   0.05  -0.09     0.08   0.04   0.05     0.16   0.02   0.05
    16   1     0.01   0.02  -0.02    -0.02   0.12   0.12     0.10  -0.21  -0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    893.6971               908.5299               928.3448
 Red. masses --      1.2828                 3.2748                 3.6757
 Frc consts  --      0.6037                 1.5926                 1.8664
 IR Inten    --     80.1307                16.8164                 6.4515
 RamAct Fr= 1--      0.8277                 0.6286                 3.1047
  Dep-P Fr= 1--      0.3989                 0.1073                 0.0501
  Dep-U Fr= 1--      0.5703                 0.1937                 0.0954
 Alpha2 Fr= 1--      0.0062                 0.0108                 0.0613
 Beta2  Fr= 1--      0.0787                 0.0203                 0.0494
 AlphaG Fr= 1--     -0.0222                -0.0052                 0.0525
 Gamma2 Fr= 1--      0.4526                 0.3743                -0.0247
 Delta2 Fr= 1--      0.2216                 0.2373                -0.0000
 Raman1 Fr= 1--       3.311                  2.514                 12.419
 ROA1   Fr= 1--      50.545                 43.523                 -2.373
 CID1   Fr= 1--      15.267                 17.311                 -0.191
 Raman2 Fr= 1--       0.944                  0.244                  0.593
 ROA2   Fr= 1--       9.091                  7.085                 -0.593
 CID2   Fr= 1--       9.629                 29.088                 -1.001
 Raman3 Fr= 1--       1.888                  0.487                  1.185
 ROA3   Fr= 1--      50.545                 43.523                 -2.373
 CID3   Fr= 1--      26.768                 89.348                 -2.002
 RC180  Fr= 1--       0.141                 -0.613                 -0.809
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.03   0.07  -0.15    -0.00   0.04  -0.16
     2   8    -0.01  -0.00  -0.02     0.06   0.09   0.01     0.05   0.07   0.04
     3   8     0.02   0.00   0.01    -0.15  -0.03   0.01    -0.10  -0.02   0.01
     4   6    -0.03   0.00   0.01     0.19  -0.10   0.11     0.11  -0.12   0.13
     5   6    -0.07  -0.05  -0.06     0.15   0.06   0.05    -0.15  -0.13  -0.15
     6   6     0.03   0.01   0.04    -0.05  -0.04  -0.10     0.04   0.04   0.20
     7   8     0.04  -0.01   0.01    -0.08   0.04   0.01     0.10  -0.05  -0.03
     8   8     0.02   0.02  -0.01    -0.02  -0.04  -0.00     0.05   0.03  -0.01
     9   8     0.01  -0.01   0.01    -0.05   0.06  -0.00    -0.02   0.02   0.02
    10   8    -0.00   0.03  -0.05     0.04  -0.07  -0.01    -0.06   0.08  -0.01
    11   1    -0.00   0.02   0.01     0.20  -0.25   0.09     0.27  -0.15   0.10
    12   1    -0.12  -0.09  -0.05     0.11   0.18   0.06    -0.30  -0.19  -0.12
    13   1    -0.09  -0.03   0.96     0.02   0.06   0.62    -0.04  -0.06  -0.60
    14   1    -0.01   0.01   0.02     0.09  -0.06   0.09     0.08  -0.05   0.04
    15   1     0.04   0.04   0.02    -0.31  -0.27  -0.13    -0.21  -0.17  -0.11
    16   1    -0.01   0.12  -0.01    -0.03  -0.21   0.09    -0.07   0.26   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1062.5189              1093.0372              1093.4830
 Red. masses --      6.6168                 6.8472                 4.6663
 Frc consts  --      4.4012                 4.8198                 3.2874
 IR Inten    --     30.5415                64.8208               107.4381
 RamAct Fr= 1--      2.6216                 2.0519                 3.3829
  Dep-P Fr= 1--      0.2477                 0.6793                 0.6959
  Dep-U Fr= 1--      0.3970                 0.8090                 0.8207
 Alpha2 Fr= 1--      0.0313                 0.0026                 0.0032
 Beta2  Fr= 1--      0.1735                 0.2767                 0.4627
 AlphaG Fr= 1--     -0.0350                -0.0028                -0.0257
 Gamma2 Fr= 1--     -0.2078                -0.0232                 0.1760
 Delta2 Fr= 1--     -0.0383                -0.5257                 0.9597
 Raman1 Fr= 1--      10.487                  8.208                 13.532
 ROA1   Fr= 1--     -21.177                -19.046                 47.609
 CID1   Fr= 1--      -2.019                 -2.321                  3.518
 Raman2 Fr= 1--       2.082                  3.320                  5.553
 ROA2   Fr= 1--      -4.682                  3.649                 -3.453
 CID2   Fr= 1--      -2.249                  1.099                 -0.622
 Raman3 Fr= 1--       4.163                  6.640                 11.105
 ROA3   Fr= 1--     -21.177                -19.046                 47.609
 CID3   Fr= 1--      -5.087                 -2.868                  4.287
 RC180  Fr= 1--      -0.206                  0.618                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.10    -0.01   0.01  -0.10    -0.02  -0.01   0.02
     2   8    -0.02  -0.06   0.03    -0.00   0.04   0.01    -0.00  -0.04   0.00
     3   8     0.06   0.02   0.03     0.03  -0.00   0.02    -0.03   0.02  -0.01
     4   6    -0.02   0.33   0.35    -0.16  -0.21   0.06     0.32   0.24  -0.10
     5   6     0.19   0.08  -0.29    -0.15   0.47  -0.15    -0.24   0.12   0.13
     6   6    -0.06  -0.03   0.14     0.01   0.03  -0.02     0.03   0.03  -0.01
     7   8    -0.03   0.00  -0.04    -0.02   0.01  -0.00     0.02   0.01   0.01
     8   8    -0.15  -0.19  -0.12     0.04   0.09   0.04    -0.08  -0.14  -0.04
     9   8     0.03  -0.04   0.04     0.13  -0.28   0.10     0.04  -0.13   0.02
    10   8     0.01  -0.01  -0.02     0.01  -0.09  -0.00     0.00  -0.03   0.00
    11   1    -0.16   0.29   0.35     0.20  -0.36  -0.02     0.45   0.14  -0.15
    12   1     0.08  -0.00  -0.25     0.17   0.50  -0.19    -0.41   0.06   0.18
    13   1     0.03   0.07  -0.06     0.01  -0.08  -0.03    -0.01  -0.04   0.03
    14   1    -0.03   0.03  -0.01     0.05  -0.01  -0.01     0.02   0.01   0.00
    15   1     0.29   0.16   0.12    -0.01   0.04   0.05    -0.15  -0.20  -0.08
    16   1     0.06  -0.27   0.06     0.07   0.10   0.06    -0.03   0.40  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1209.3791              1242.2233              1258.9457
 Red. masses --      1.4098                 1.4549                 1.3303
 Frc consts  --      1.2149                 1.3228                 1.2423
 IR Inten    --     87.2214                 7.4658                 8.2811
 RamAct Fr= 1--      6.5583                 2.5353                 4.0841
  Dep-P Fr= 1--      0.4755                 0.2674                 0.2524
  Dep-U Fr= 1--      0.6445                 0.4219                 0.4030
 Alpha2 Fr= 1--      0.0362                 0.0286                 0.0481
 Beta2  Fr= 1--      0.7044                 0.1783                 0.2743
 AlphaG Fr= 1--      0.0492                -0.0023                -0.0475
 Gamma2 Fr= 1--     -0.1586                -0.7356                 1.1732
 Delta2 Fr= 1--      0.2522                -0.5558                 1.0608
 Raman1 Fr= 1--      26.233                 10.141                 16.336
 ROA1   Fr= 1--      -7.157                -88.406                146.577
 CID1   Fr= 1--      -0.273                 -8.718                  8.972
 Raman2 Fr= 1--       8.453                  2.139                  3.292
 ROA2   Fr= 1--      -5.825                -13.209                 19.671
 CID2   Fr= 1--      -0.689                 -6.174                  5.976
 Raman3 Fr= 1--      16.907                  4.279                  6.584
 ROA3   Fr= 1--      -7.157                -88.406                146.577
 CID3   Fr= 1--      -0.423                -20.661                 22.263
 RC180  Fr= 1--       0.289                 -0.156                 -0.194
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.03  -0.02    -0.08   0.02  -0.06     0.10  -0.02   0.05
     2   8     0.02   0.05   0.00    -0.01  -0.04   0.01     0.01   0.04  -0.01
     3   8    -0.07  -0.05   0.00     0.05   0.03   0.01    -0.04  -0.04  -0.01
     4   6     0.01   0.01  -0.00    -0.04   0.04   0.05     0.00  -0.01   0.02
     5   6    -0.01  -0.00   0.03    -0.04  -0.08   0.05    -0.01  -0.04  -0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.04  -0.06    -0.01  -0.03  -0.04
     7   8     0.00  -0.00   0.00     0.02   0.00   0.01     0.02  -0.00   0.01
     8   8    -0.06   0.01  -0.01    -0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   8     0.00   0.01  -0.00    -0.01   0.00  -0.01    -0.01  -0.03   0.02
    10   8    -0.01  -0.00   0.00    -0.01   0.03   0.01    -0.01   0.02   0.00
    11   1     0.22  -0.38  -0.07     0.50  -0.26  -0.07    -0.20   0.46   0.10
    12   1    -0.02  -0.05   0.03     0.61   0.29  -0.07     0.28   0.55  -0.08
    13   1     0.00   0.05   0.00    -0.01   0.01  -0.01    -0.00   0.10   0.01
    14   1    -0.48   0.01  -0.10     0.23   0.00   0.02    -0.35   0.01  -0.04
    15   1     0.50   0.45   0.25     0.13   0.10   0.06    -0.15  -0.13  -0.07
    16   1     0.01  -0.03  -0.01    -0.04   0.30  -0.06    -0.05   0.37  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.5522              1306.9930              1363.2381
 Red. masses --      2.8441                 1.1794                 1.2036
 Frc consts  --      2.8257                 1.1870                 1.3179
 IR Inten    --    119.4982                56.8636                14.5788
 RamAct Fr= 1--      4.9575                 3.3187                 4.9968
  Dep-P Fr= 1--      0.3957                 0.3313                 0.7461
  Dep-U Fr= 1--      0.5670                 0.4977                 0.8546
 Alpha2 Fr= 1--      0.0373                 0.0309                 0.0003
 Beta2  Fr= 1--      0.4685                 0.2753                 0.7117
 AlphaG Fr= 1--     -0.0008                 0.0240                -0.0020
 Gamma2 Fr= 1--      0.7485                -1.9802                -0.0605
 Delta2 Fr= 1--     -0.2041                 0.1762                -1.8011
 Raman1 Fr= 1--      19.830                 13.275                 19.987
 ROA1   Fr= 1--      65.326               -184.463                -63.445
 CID1   Fr= 1--       3.294                -13.896                 -3.174
 Raman2 Fr= 1--       5.622                  3.303                  8.541
 ROA2   Fr= 1--      19.596                -48.934                 12.956
 CID2   Fr= 1--       3.486                -14.814                  1.517
 Raman3 Fr= 1--      11.244                  6.607                 17.081
 ROA3   Fr= 1--      65.326               -184.463                -63.445
 CID3   Fr= 1--       5.810                -27.921                 -3.714
 RC180  Fr= 1--       0.134                 -0.005                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.02  -0.01   0.00    -0.04   0.00  -0.01
     2   8    -0.01   0.03  -0.00     0.01   0.02  -0.00     0.00   0.01   0.00
     3   8    -0.00  -0.00   0.00     0.00  -0.02   0.00     0.02  -0.00   0.00
     4   6     0.01  -0.01   0.03    -0.06  -0.01   0.03    -0.05  -0.03  -0.01
     5   6     0.02  -0.06   0.01    -0.04   0.05   0.04     0.04  -0.06  -0.00
     6   6     0.07   0.30   0.03     0.00  -0.01   0.00     0.02   0.05   0.01
     7   8    -0.10   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.00  -0.01
     8   8    -0.00   0.00  -0.01     0.01  -0.01  -0.03    -0.01   0.00  -0.02
     9   8    -0.05  -0.03  -0.02     0.01   0.02  -0.02     0.01   0.01   0.02
    10   8     0.07  -0.16   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
    11   1    -0.12   0.08   0.07     0.52   0.47  -0.03     0.48   0.31  -0.08
    12   1     0.36  -0.28  -0.06     0.28  -0.49  -0.01    -0.49   0.54   0.09
    13   1    -0.02  -0.54  -0.00     0.00   0.00   0.02    -0.02  -0.22  -0.01
    14   1    -0.06   0.00  -0.01    -0.25   0.01  -0.04    -0.05   0.01  -0.02
    15   1     0.05   0.04   0.02    -0.17  -0.15  -0.06     0.08   0.07   0.03
    16   1    -0.09   0.53  -0.13     0.03  -0.24   0.01     0.04  -0.21   0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1378.7156              1409.1806              1435.4982
 Red. masses --      1.4234                 1.5321                 2.1873
 Frc consts  --      1.5941                 1.7925                 2.6556
 IR Inten    --    393.5274               119.0174               133.4021
 RamAct Fr= 1--      4.3097                 1.7449                 1.0842
  Dep-P Fr= 1--      0.3323                 0.4899                 0.4119
  Dep-U Fr= 1--      0.4988                 0.6576                 0.5835
 Alpha2 Fr= 1--      0.0400                 0.0090                 0.0077
 Beta2  Fr= 1--      0.3583                 0.1912                 0.1054
 AlphaG Fr= 1--      0.0114                 0.0268                -0.0086
 Gamma2 Fr= 1--     -1.0052                 1.1677                 0.6031
 Delta2 Fr= 1--      0.1018                 0.5105                 0.6296
 Raman1 Fr= 1--      17.239                  6.980                  4.337
 ROA1   Fr= 1--     -93.244                128.437                 78.042
 CID1   Fr= 1--      -5.409                 18.402                 17.995
 Raman2 Fr= 1--       4.300                  2.295                  1.265
 ROA2   Fr= 1--     -24.940                 23.941                  9.437
 CID2   Fr= 1--      -5.801                 10.432                  7.459
 Raman3 Fr= 1--       8.599                  4.590                  2.531
 ROA3   Fr= 1--     -93.244                128.437                 78.042
 CID3   Fr= 1--     -10.843                 27.983                 30.840
 RC180  Fr= 1--      -0.002                  0.315                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01   0.02     0.08  -0.02  -0.00     0.19  -0.04   0.01
     2   8    -0.03  -0.03  -0.00    -0.01  -0.01   0.00    -0.03  -0.01   0.00
     3   8    -0.08   0.04  -0.01    -0.04   0.01  -0.00    -0.09   0.01  -0.01
     4   6     0.04  -0.08   0.01    -0.10   0.02  -0.00    -0.11   0.15  -0.00
     5   6    -0.05   0.01   0.00     0.14   0.03   0.02    -0.07  -0.05  -0.01
     6   6     0.01   0.01  -0.01    -0.03   0.01   0.01     0.04   0.06   0.00
     7   8     0.00  -0.00   0.00     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.04   0.00  -0.03     0.01  -0.01   0.00     0.06  -0.01   0.02
     9   8     0.01   0.01   0.00    -0.04  -0.04  -0.01     0.03   0.02   0.01
    10   8    -0.00  -0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.03   0.00
    11   1    -0.03   0.45   0.07     0.34  -0.00  -0.09     0.08  -0.46  -0.09
    12   1     0.15   0.01  -0.03    -0.36  -0.18   0.11     0.10   0.25  -0.05
    13   1     0.01   0.08   0.01     0.04   0.44   0.01     0.00  -0.14   0.01
    14   1     0.71  -0.06   0.10     0.27  -0.03   0.03     0.28  -0.04   0.05
    15   1     0.32   0.28   0.13    -0.08  -0.07  -0.05    -0.37  -0.35  -0.16
    16   1     0.03  -0.16   0.02    -0.09   0.60  -0.11     0.08  -0.45   0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1476.1282              1783.6291              1817.0414
 Red. masses --      1.4953                 8.8286                 8.3662
 Frc consts  --      1.9197                16.5482                16.2746
 IR Inten    --    181.8951               376.9580               266.8064
 RamAct Fr= 1--      0.9635                27.6087                 9.0734
  Dep-P Fr= 1--      0.3102                 0.0973                 0.6748
  Dep-U Fr= 1--      0.4735                 0.1774                 0.8058
 Alpha2 Fr= 1--      0.0096                 0.4866                 0.0121
 Beta2  Fr= 1--      0.0760                 0.8163                 1.2186
 AlphaG Fr= 1--      0.0008                -0.0573                 0.0389
 Gamma2 Fr= 1--     -0.4414                -0.6367                 0.6035
 Delta2 Fr= 1--     -0.0488                -0.2330                 0.1891
 Raman1 Fr= 1--       3.854                110.435                 36.293
 ROA1   Fr= 1--     -43.934                -68.579                 63.987
 CID1   Fr= 1--     -11.400                 -0.621                  1.763
 Raman2 Fr= 1--       0.912                  9.795                 14.623
 ROA2   Fr= 1--     -10.202                -13.417                 12.971
 CID2   Fr= 1--     -11.182                 -1.370                  0.887
 Raman3 Fr= 1--       1.825                 19.590                 29.247
 ROA3   Fr= 1--     -43.934                -68.579                 63.987
 CID3   Fr= 1--     -24.076                 -3.501                  2.188
 RC180  Fr= 1--      -0.053                 -0.645                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.00     0.15   0.50  -0.03    -0.14  -0.42   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.30   0.02     0.08   0.24  -0.02
     3   8     0.03  -0.00   0.00     0.00  -0.05   0.00     0.01   0.04  -0.00
     4   6     0.02  -0.00   0.00    -0.00  -0.05   0.00    -0.01   0.02  -0.01
     5   6    -0.05  -0.04  -0.01    -0.00   0.00  -0.01    -0.02  -0.00   0.00
     6   6     0.02   0.13  -0.01     0.42  -0.13   0.09     0.45  -0.21   0.09
     7   8     0.03  -0.03   0.01    -0.26   0.07  -0.06    -0.28   0.08  -0.06
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
     9   8     0.01   0.01   0.00    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.00    -0.06   0.01  -0.01    -0.05   0.03  -0.00
    11   1    -0.04  -0.01   0.01     0.02   0.05   0.01     0.02  -0.02  -0.01
    12   1     0.08   0.14  -0.03    -0.04  -0.04   0.00     0.00  -0.04   0.02
    13   1     0.11   0.91   0.01     0.17   0.32   0.05    -0.01   0.51  -0.03
    14   1    -0.13   0.01  -0.02    -0.39   0.05  -0.05     0.31  -0.03   0.04
    15   1    -0.01  -0.00   0.00    -0.02  -0.02  -0.01     0.03   0.04   0.01
    16   1     0.04  -0.26   0.05    -0.07   0.22  -0.03    -0.04   0.15  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2997.8213              3014.5678              3175.9377
 Red. masses --      1.0807                 1.0839                 1.0747
 Frc consts  --      5.7223                 5.8035                 6.3868
 IR Inten    --     10.9764                16.6138              1049.7139
 RamAct Fr= 1--    163.4306                 7.0087                96.0711
  Dep-P Fr= 1--      0.1660                 0.2064                 0.2339
  Dep-U Fr= 1--      0.2847                 0.3422                 0.3792
 Alpha2 Fr= 1--      2.4256                 0.0936                 1.1905
 Beta2  Fr= 1--      7.7540                 0.3997                 6.0713
 AlphaG Fr= 1--      0.3259                 0.0451                -0.1446
 Gamma2 Fr= 1--      3.4174                -2.0497                -2.4666
 Delta2 Fr= 1--      4.0931                -4.1936                 0.7472
 Raman1 Fr= 1--     653.722                 28.035                384.284
 ROA1   Fr= 1--     459.046               -330.963               -212.880
 CID1   Fr= 1--       0.702                -11.805                 -0.554
 Raman2 Fr= 1--      93.048                  4.797                 72.855
 ROA2   Fr= 1--      49.272                -15.643                -65.176
 CID2   Fr= 1--       0.530                 -3.261                 -0.895
 Raman3 Fr= 1--     186.095                  9.593                145.711
 ROA3   Fr= 1--     459.046               -330.963               -212.880
 CID3   Fr= 1--       2.467                -34.500                 -1.461
 RC180  Fr= 1--      -0.431                 -0.316                 -0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.04    -0.01   0.01  -0.07     0.00   0.00  -0.00
     5   6    -0.01  -0.00  -0.07    -0.01  -0.00  -0.04     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.06   0.01  -0.00
    11   1    -0.10   0.04  -0.53     0.15  -0.07   0.82    -0.00   0.00   0.00
    12   1     0.15   0.01   0.82     0.09   0.01   0.53    -0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.98  -0.16   0.07
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00   0.01  -0.00
    16   1    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00    -0.02   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3596.8318              3608.6584              3753.5768
 Red. masses --      1.0646                 1.0645                 1.0657
 Frc consts  --      8.1146                 8.1676                 8.8468
 IR Inten    --    180.5898               183.5280                88.7759
 RamAct Fr= 1--     48.4656                39.9092                49.6485
  Dep-P Fr= 1--      0.0681                 0.1051                 0.1470
  Dep-U Fr= 1--      0.1275                 0.1902                 0.2563
 Alpha2 Fr= 1--      0.9168                 0.6901                 0.7734
 Beta2  Fr= 1--      1.0302                 1.2649                 2.1210
 AlphaG Fr= 1--     -0.1091                 0.0017                -0.1133
 Gamma2 Fr= 1--     -0.8264                 1.5482                -0.1619
 Delta2 Fr= 1--     -0.1915                 0.2616                -0.5016
 Raman1 Fr= 1--     193.862                159.637                198.594
 ROA1   Fr= 1--     -85.459                157.000                -31.595
 CID1   Fr= 1--      -0.441                  0.983                 -0.159
 Raman2 Fr= 1--      12.363                 15.179                 25.452
 ROA2   Fr= 1--     -18.301                 35.064                  0.127
 CID2   Fr= 1--      -1.480                  2.310                  0.005
 Raman3 Fr= 1--      24.726                 30.357                 50.904
 ROA3   Fr= 1--     -85.459                157.000                -31.595
 CID3   Fr= 1--      -3.456                  5.172                 -0.621
 RC180  Fr= 1--      -0.745                 -0.620                 -0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.00  -0.00    -0.01  -0.06   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.05   0.01
     9   8    -0.06  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.02   0.00   0.00    -0.02   0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01  -0.05   0.00     0.13   0.99  -0.02    -0.00  -0.05   0.00
    15   1     0.01  -0.02   0.00    -0.03   0.03  -0.00    -0.59   0.80  -0.10
    16   1     0.96   0.13   0.22     0.05   0.01   0.01     0.02   0.00   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   860.390701690.060542490.25697
           X            0.99999   0.00482  -0.00227
           Y           -0.00483   0.99998  -0.00298
           Z            0.00226   0.00299   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10067     0.05125     0.03478
 Rotational constants (GHZ):           2.09758     1.06786     0.72472
 Zero-point vibrational energy     303734.1 (Joules/Mol)
                                   72.59420 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     75.95   100.81   143.73   355.68   359.08
          (Kelvin)            472.63   499.55   528.92   565.96   643.28
                              720.59   744.35   805.10   857.40   952.20
                             1033.50  1087.58  1094.64  1285.83  1307.17
                             1335.68  1528.73  1572.64  1573.28  1740.03
                             1787.28  1811.34  1868.33  1880.47  1961.40
                             1983.66  2027.50  2065.36  2123.82  2566.24
                             2614.32  4313.20  4337.29  4569.47  5175.04
                             5192.05  5400.56
 
 Zero-point correction=                           0.115686 (Hartree/Particle)
 Thermal correction to Energy=                    0.125067
 Thermal correction to Enthalpy=                  0.126011
 Thermal correction to Gibbs Free Energy=         0.080413
 Sum of electronic and zero-point Energies=           -607.574404
 Sum of electronic and thermal Energies=              -607.565024
 Sum of electronic and thermal Enthalpies=            -607.564080
 Sum of electronic and thermal Free Energies=         -607.609677
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.480             34.486             95.968
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.672
 Vibrational             76.703             28.524             25.369
 Vibration     1          0.596              1.976              4.710
 Vibration     2          0.598              1.968              4.152
 Vibration     3          0.604              1.949              3.456
 Vibration     4          0.661              1.767              1.750
 Vibration     5          0.662              1.763              1.734
 Vibration     6          0.712              1.619              1.267
 Vibration     7          0.725              1.581              1.179
 Vibration     8          0.740              1.539              1.090
 Vibration     9          0.761              1.484              0.987
 Vibration    10          0.806              1.367              0.805
 Vibration    11          0.856              1.248              0.656
 Vibration    12          0.872              1.212              0.616
 Vibration    13          0.915              1.119              0.525
 Vibration    14          0.954              1.040              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.102917D-36        -36.987512        -85.166893
 Total V=0       0.167652D+17         16.224409         37.358082
 Vib (Bot)       0.209199D-50        -50.679440       -116.693724
 Vib (Bot)    1  0.391510D+01          0.592742          1.364840
 Vib (Bot)    2  0.294352D+01          0.468868          1.079608
 Vib (Bot)    3  0.205439D+01          0.312684          0.719981
 Vib (Bot)    4  0.790535D+00         -0.102079         -0.235046
 Vib (Bot)    5  0.782181D+00         -0.106693         -0.245669
 Vib (Bot)    6  0.569316D+00         -0.244647         -0.563320
 Vib (Bot)    7  0.532343D+00         -0.273809         -0.630468
 Vib (Bot)    8  0.496046D+00         -0.304478         -0.701086
 Vib (Bot)    9  0.455301D+00         -0.341701         -0.786796
 Vib (Bot)   10  0.384453D+00         -0.415156         -0.955933
 Vib (Bot)   11  0.327913D+00         -0.484241         -1.115006
 Vib (Bot)   12  0.312756D+00         -0.504794         -1.162331
 Vib (Bot)   13  0.277868D+00         -0.556162         -1.280610
 Vib (Bot)   14  0.251620D+00         -0.599255         -1.379836
 Vib (V=0)       0.340785D+03          2.532480          5.831251
 Vib (V=0)    1  0.444689D+01          0.648057          1.492206
 Vib (V=0)    2  0.348569D+01          0.542289          1.248666
 Vib (V=0)    3  0.261436D+01          0.417366          0.961021
 Vib (V=0)    4  0.143539D+01          0.156968          0.361433
 Vib (V=0)    5  0.142834D+01          0.154830          0.356510
 Vib (V=0)    6  0.125771D+01          0.099580          0.229291
 Vib (V=0)    7  0.123033D+01          0.090023          0.207286
 Vib (V=0)    8  0.120432D+01          0.080741          0.185912
 Vib (V=0)    9  0.117624D+01          0.070496          0.162322
 Vib (V=0)   10  0.113072D+01          0.053354          0.122852
 Vib (V=0)   11  0.109794D+01          0.040577          0.093432
 Vib (V=0)   12  0.108976D+01          0.037331          0.085957
 Vib (V=0)   13  0.107202D+01          0.030204          0.069548
 Vib (V=0)   14  0.105974D+01          0.025201          0.058027
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.681187D+06          5.833267         13.431593
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    33             3    32                                       11         111111111 1  111                                   
     7    65             1    09                                       87         444333222 2  000  998   777 6 5 55543333 22    1   
     5    09             7    19                                       18         730760954 0  996  209   651 6 9 61049642 54    075 
     4    97             6    58                                       74         659937992 9  333  894   168 2 6 07173878 07    003 
 
     X    XX             X    XX                                       XX         XXXXXXXXX X  XXX  XXX   XXX X X XXXXXXXX XX    XXX 
     X    XX             X                                             XX         XXXX  X   X  X      X              X               
          XX             X                                             XX         XX X                               X               
                         X                                             XX            X                                               
                         X                                             XX            X                                               
                         X                                              X            X                                               
                         X                                              X            X                                               
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
                         X                                                                                                           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000007738   -0.000008173   -0.000001522
      2        8           0.000001648   -0.000001295    0.000001220
      3        8           0.000001751    0.000002442    0.000001220
      4        6           0.000477780    0.008318076    0.000708473
      5        6          -0.000037645    0.008343015   -0.000231519
      6        6           0.000000992   -0.000001732   -0.000001707
      7        8           0.000004496   -0.000004917    0.000001812
      8        8           0.000005405    0.000002382   -0.000001042
      9        8          -0.000004796    0.000001437    0.000004323
     10        8          -0.000001287    0.000004163    0.000000540
     11        1          -0.000391200   -0.008323578   -0.000567945
     12        1          -0.000045168   -0.008343739    0.000085983
     13        1           0.000000009    0.000007618   -0.000003661
     14        1          -0.000001640   -0.000000241    0.000004678
     15        1          -0.000000508    0.000001804   -0.000000544
     16        1          -0.000002098    0.000002738   -0.000000309
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008343739 RMS     0.002410770
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.877481D+02  0.523758D+00  0.253008D+01
      2   0.523758D+00  0.784999D+02 -0.953106D+00
      3   0.253008D+01 -0.953106D+00  0.530021D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.217686D+01 -0.989479D+00 -0.669092D+01
      2  -0.287748D+01 -0.116983D+01 -0.381791D+01
      3  -0.116298D+02 -0.141331D+01 -0.423548D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.113125D+02  0.149728D+02 -0.854710D+01
      2   0.460748D+01 -0.801454D+01  0.556889D+01
      3   0.670502D+01 -0.695823D+01  0.297821D+01
      4   0.170507D+02 -0.331574D+01  0.250791D+00
      5  -0.808258D+01  0.750543D+00 -0.432656D+01
      6  -0.350979D+00  0.119941D+01  0.156659D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.209525D+01 -0.790938D+00 -0.157314D+00  0.231908D+01  0.202744D+01
      2  -0.790938D+00  0.245511D+01  0.974185D-01  0.202744D+01  0.528143D+01
      3  -0.157314D+00  0.974185D-01  0.541867D+00 -0.985456D-01 -0.359753D+00
                 6             7             8             9            10 
      1  -0.985456D-01 -0.875876D+00  0.548255D+00  0.450239D+00 -0.290406D+01
      2  -0.359753D+00  0.548255D+00 -0.457429D+00  0.242477D+00 -0.223597D+01
      3   0.127614D+00  0.450239D+00  0.242477D+00 -0.544997D+00  0.207624D+00
                11            12            13            14            15 
      1  -0.223597D+01  0.207624D+00 -0.554848D+01 -0.643059D+00  0.109272D+00
      2  -0.119441D+01  0.126030D+00 -0.643059D+00 -0.116617D+02  0.393920D+00
      3   0.126030D+00 -0.587498D+00  0.109272D+00  0.393920D+00 -0.189010D+01
                16            17            18            19            20 
      1   0.338924D+00  0.904180D-01 -0.450110D+00  0.937628D+01 -0.370810D+00
      2   0.904180D-01  0.435725D+00 -0.269632D+01 -0.370810D+00  0.490232D+00
      3  -0.450110D+00 -0.269632D+01  0.489309D+00  0.277273D+00  0.755015D-01
                21            22            23            24            25 
      1   0.277273D+00 -0.243995D+01  0.104794D+01  0.397612D-01  0.115959D+01
      2   0.755015D-01  0.104794D+01 -0.366225D+01  0.115827D+00 -0.274932D+00
      3   0.122822D+01  0.397612D-01  0.115827D+00 -0.128199D+00  0.234742D+01
                26            27            28            29            30 
      1  -0.274932D+00  0.234742D+01  0.411971D+01 -0.855038D+00 -0.809763D+00
      2   0.177662D+00  0.155417D+00 -0.855038D+00 -0.183127D+01 -0.456571D+00
      3   0.155417D+00  0.432156D+00 -0.809763D+00 -0.456571D+00  0.162493D+01
                31            32            33            34            35 
      1  -0.130503D+01 -0.263889D+01  0.680339D-01 -0.182585D+01 -0.955897D+00
      2  -0.263889D+01 -0.245081D+01 -0.388148D+00 -0.955897D+00 -0.555368D-02
      3   0.680339D-01 -0.388148D+00  0.735481D-01  0.173600D+01 -0.539018D+00
                36            37            38            39            40 
      1   0.173600D+01 -0.456653D+01  0.136124D+01  0.508232D+00 -0.778672D+00
      2  -0.539018D+00  0.136124D+01  0.208592D+01  0.384166D-01  0.259880D+01
      3   0.663135D+01  0.508232D+00  0.384166D-01 -0.155867D+01  0.211509D+00
                41            42            43            44            45 
      1   0.259880D+01  0.211509D+00  0.106658D+01 -0.798444D+00 -0.199080D+01
      2  -0.104099D+01  0.495793D+00 -0.798444D+00  0.395702D+00  0.643586D+00
      3   0.495793D+00  0.727306D+00 -0.199080D+01  0.643586D+00 -0.694031D+01
                46            47            48            49            50 
      1   0.663858D+01 -0.269314D+01  0.107996D+01 -0.438517D+01 -0.161968D+01
      2  -0.269314D+01  0.770786D+00 -0.882040D-01 -0.161968D+01  0.302599D+00
      3   0.107996D+01 -0.882040D-01  0.575892D+00 -0.295809D+00 -0.306642D+00
                51            52            53            54            55 
      1  -0.295809D+00  0.178405D+01  0.827568D-01  0.359715D+00 -0.151214D+02
      2  -0.306642D+00  0.827568D-01  0.315778D+00 -0.592621D+00  0.161532D+01
      3  -0.931503D+00  0.359715D+00 -0.592621D+00  0.879306D+00 -0.134313D+01
                56            57            58            59            60 
      1   0.161532D+01 -0.134313D+01  0.196154D+01 -0.219639D+01  0.140125D+00
      2  -0.371264D+01  0.178978D+00 -0.219639D+01  0.194713D+01 -0.342488D+00
      3   0.178978D+00 -0.227755D+01  0.140125D+00 -0.342488D+00  0.886748D+00
                61            62            63            64            65 
      1  -0.206321D+01  0.278115D-01 -0.352780D+01  0.521740D+01  0.155855D+01
      2   0.278115D-01 -0.803566D+00  0.492845D+00  0.155855D+01  0.482389D+01
      3  -0.352780D+01  0.492845D+00 -0.167594D+01  0.540024D+00  0.185371D-01
                66            67            68            69            70 
      1   0.540024D+00  0.852121D+00  0.391022D+01 -0.157310D+00  0.115586D+01
      2   0.185371D-01  0.391022D+01  0.181665D+01  0.480474D+00  0.444187D+00
      3   0.147189D+00 -0.157310D+00  0.480474D+00 -0.339941D+00  0.642292D+00
                71            72            73            74            75 
      1   0.444187D+00  0.642292D+00  0.255553D+01  0.168210D+01  0.247165D+00
      2   0.128179D+01  0.107536D+01  0.168210D+01  0.139480D+01 -0.258541D+00
      3   0.107536D+01  0.166894D+00  0.247165D+00 -0.258541D+00  0.883221D+00
                76            77            78            79            80 
      1   0.242782D+01 -0.168159D+01 -0.376404D+00  0.673239D+00  0.799976D-01
      2  -0.168159D+01  0.739229D+01  0.846195D-01  0.799976D-01  0.283741D+00
      3  -0.376404D+00  0.846195D-01  0.239428D+00 -0.206503D+00  0.120281D+01
                81            82            83            84            85 
      1  -0.206503D+00 -0.828599D+01 -0.149010D+01  0.316298D-01  0.719468D+00
      2   0.120281D+01 -0.149010D+01 -0.130327D+01  0.138052D+00 -0.395284D+00
      3   0.417143D+00  0.316298D-01  0.138052D+00 -0.110781D+00  0.252776D+00
                86            87            88            89            90 
      1  -0.395284D+00  0.252776D+00 -0.220575D+00  0.158833D+00  0.119936D+00
      2  -0.764506D+01  0.101339D+00  0.158833D+00 -0.191073D+00 -0.197522D+01
      3   0.101339D+00 -0.108082D+01  0.119936D+00 -0.197522D+01  0.102180D+00
                91            92            93            94            95 
      1  -0.160039D+01  0.137208D+00 -0.105010D+01  0.223198D+00  0.428405D+00
      2   0.137208D+00 -0.383847D-02  0.760575D-01  0.428405D+00  0.703917D+00
      3  -0.105010D+01  0.760575D-01 -0.135993D+01 -0.588230D-01 -0.113041D+01
                96            97            98            99           100 
      1  -0.588230D-01 -0.145311D+01  0.300354D+00 -0.632969D+00  0.169814D+01
      2  -0.113041D+01  0.300354D+00 -0.186081D+01  0.642215D+00 -0.221012D+00
      3   0.621544D+00 -0.632969D+00  0.642215D+00 -0.806010D+01  0.114402D+01
               101           102           103           104           105 
      1  -0.221012D+00  0.114402D+01 -0.155775D+00 -0.350579D+00  0.617978D-02
      2  -0.130478D+00 -0.222796D-01 -0.350579D+00  0.313533D+00  0.108506D+01
      3  -0.222796D-01  0.140140D+01  0.617978D-02  0.108506D+01  0.288309D+00
               106           107           108           109           110 
      1   0.174302D+01  0.237662D+00  0.103154D+01  0.957785D+01 -0.419367D+00
      2   0.237662D+00  0.155252D+01  0.105202D+00 -0.419367D+00  0.134008D+01
      3   0.103154D+01  0.105202D+00  0.842521D+01 -0.100431D+00 -0.759524D-01
               111           112           113           114           115 
      1  -0.100431D+00 -0.322485D+00  0.370190D+00 -0.727734D-01  0.272766D+00
      2  -0.759524D-01  0.370190D+00 -0.166885D+01  0.964069D-01 -0.100021D+00
      3   0.357441D+00 -0.727734D-01  0.964069D-01 -0.513323D+00 -0.235775D-01
               116           117           118           119           120 
      1  -0.100021D+00 -0.235775D-01  0.206690D+01  0.134024D+01  0.867598D-02
      2   0.226904D+00 -0.523083D+00  0.134024D+01  0.811820D+00  0.481299D-01
      3  -0.523083D+00  0.131339D+00  0.867598D-02  0.481299D-01  0.686680D+00
               121           122           123           124           125 
      1   0.384406D+01  0.104317D+01  0.116331D+00 -0.150936D+00  0.444617D-01
      2   0.104317D+01  0.447255D+01 -0.489675D-01  0.444617D-01 -0.583740D-01
      3   0.116331D+00 -0.489675D-01  0.588323D+00  0.671673D+00  0.375283D+00
               126           127           128           129           130 
      1   0.671673D+00 -0.160783D+01  0.771110D+00 -0.768676D-01  0.198614D+01
      2   0.375283D+00  0.771110D+00 -0.252104D+01 -0.227010D-01 -0.946073D+00
      3   0.944300D-01 -0.768676D-01 -0.227010D-01 -0.295315D+00  0.221235D-01
               131           132           133           134           135 
      1  -0.946073D+00  0.221235D-01 -0.382330D+00  0.518211D-01  0.791921D-01
      2   0.628795D+01 -0.156450D+00  0.518211D-01 -0.537205D+00  0.866160D+00
      3  -0.156450D+00  0.109753D+01  0.791921D-01  0.866160D+00 -0.656183D-01
               136           137           138           139           140 
      1  -0.506891D+01  0.610616D+00 -0.506997D+00  0.602128D+00 -0.954619D+00
      2   0.610616D+00 -0.347570D+01  0.127128D+00 -0.954619D+00 -0.388427D+00
      3  -0.506997D+00  0.127128D+00 -0.125709D+01  0.935533D-01 -0.120580D+00
               141           142           143           144 
      1   0.935533D-01 -0.122213D+01  0.627358D-01 -0.606256D+00
      2  -0.120580D+00  0.627358D-01 -0.755807D+00  0.524904D+00
      3   0.233537D+00 -0.606256D+00  0.524904D+00 -0.482354D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.355190D-01 -0.641055D+00  0.110390D+01 -0.286248D+01  0.107733D+01
      2   0.126538D+01 -0.163322D+01 -0.518189D+01 -0.274634D+01 -0.270756D+00
      3   0.516907D+00 -0.485255D+01  0.824645D+00 -0.841687D+01 -0.603378D+01
                 6             7             8             9            10 
      1   0.786704D+01 -0.125246D+01  0.107440D+02 -0.201998D+01  0.488037D+00
      2   0.296312D+00 -0.144261D+02  0.327586D+01 -0.288058D+01 -0.233068D+00
      3   0.141794D+01  0.303618D+01  0.167128D+01 -0.182269D+01  0.823608D+01
                11            12            13            14            15 
      1   0.352634D+00 -0.694591D+00  0.373411D+00  0.147012D+01 -0.102725D+02
      2   0.283250D+00  0.330615D+01  0.245912D+00  0.570386D+00 -0.175654D+01
      3  -0.783045D+00 -0.698571D+00  0.187053D+02  0.173433D+02 -0.969023D+00
                16            17            18            19            20 
      1   0.164052D+01 -0.718016D+00  0.127915D+01  0.432764D+00 -0.692800D-01
      2  -0.248950D+01 -0.530617D+01  0.115701D+01  0.134237D+01  0.650608D-01
      3  -0.186748D+01 -0.521005D+00  0.521169D+01 -0.237820D+01 -0.804473D+01
                21            22            23            24            25 
      1  -0.204810D+00  0.500347D+00 -0.693998D+00 -0.234575D+01  0.185877D+01
      2   0.921054D+01  0.860078D+00  0.220107D+00 -0.149030D+01  0.525615D+01
      3  -0.172251D+00  0.886396D+00  0.154507D+02 -0.174680D+00 -0.917992D+00
                26            27            28            29            30 
      1   0.125915D+01  0.420718D+00  0.176408D+01  0.722549D+00  0.153826D+01
      2  -0.198305D+01  0.170710D+01 -0.194281D+01  0.109751D+00  0.235061D+01
      3  -0.138107D+01 -0.125221D+01 -0.870279D+00 -0.201607D+01 -0.212715D+00
                31            32            33            34            35 
      1   0.284155D+01  0.163561D+01 -0.156993D+01 -0.362681D-01  0.179597D+01
      2   0.145350D+01 -0.274927D+00 -0.233973D+01 -0.327050D+01 -0.842744D+00
      3   0.610432D+01  0.104803D+01 -0.441464D+00 -0.130445D+00 -0.993968D+00
                36            37            38            39            40 
      1  -0.645115D+00 -0.182493D+01  0.181647D+01 -0.145549D+01  0.106753D+01
      2   0.288815D+01  0.205712D+00 -0.288730D+00  0.263610D+01 -0.115751D+01
      3   0.104779D+01  0.135986D+01 -0.115197D+01  0.515255D+00  0.716179D+01
                41            42            43            44            45 
      1  -0.428884D+00 -0.149126D+01  0.158714D-01  0.203302D+01  0.110651D+01
      2  -0.534177D+00  0.204272D+01 -0.352689D+01 -0.821625D+00  0.311275D+01
      3   0.211910D+01  0.341177D+00  0.281428D+00 -0.535491D+00 -0.402034D+00
                46            47            48            49            50 
      1   0.610177D+00 -0.475489D+01 -0.689009D+00 -0.296741D+01 -0.128831D+01
      2   0.286696D+01  0.219303D+01 -0.844485D+01  0.214908D+01  0.892130D+00
      3  -0.633451D+01  0.662579D+01 -0.122788D+01  0.233347D+01 -0.372991D+01
                51            52            53            54            55 
      1   0.597510D+01  0.267537D+01  0.135602D+02  0.111178D+01 -0.989792D+00
      2   0.186197D+01 -0.136195D+02 -0.294617D+01 -0.535047D+01  0.121362D+01
      3   0.128014D+01 -0.117638D+01  0.531459D+01 -0.784461D+00  0.980070D+01
                56            57            58            59            60 
      1   0.213391D+01  0.458651D-01  0.763350D+00 -0.486141D+00 -0.343081D+01
      2  -0.728127D+00  0.137478D+02 -0.852992D+00  0.838143D+00 -0.164166D+01
      3  -0.198621D+02  0.114766D+01 -0.237115D+01  0.925098D+01 -0.981163D+00
                61            62            63            64            65 
      1  -0.280121D+01  0.120338D+01 -0.108561D+01 -0.820853D+00 -0.285974D+00
      2   0.542876D+01  0.133751D+01  0.489993D+01  0.831192D+00  0.524546D+00
      3   0.846084D+00 -0.437104D+01  0.300600D+01  0.115543D+02 -0.112036D+02
                66            67            68            69            70 
      1  -0.262765D+01 -0.703163D+00 -0.263616D+01 -0.395563D+01 -0.119361D+01
      2   0.389829D+01 -0.713225D+00  0.339673D+00  0.188115D+01 -0.149517D+01
      3   0.504731D+00 -0.380797D+01  0.523400D+01 -0.382317D+00  0.267958D+01
                71            72            73            74            75 
      1   0.309823D+01 -0.172953D+01 -0.153530D+01 -0.786926D+00 -0.279068D+00
      2   0.126738D+01  0.973570D+00  0.276279D+00 -0.577019D+00  0.187937D+01
      3  -0.150240D+01 -0.279297D+00  0.132496D+02  0.788947D+01  0.144589D+01
                76            77            78            79            80 
      1  -0.685717D+00  0.191985D+01 -0.622210D+01 -0.146133D+00  0.103205D+01
      2   0.599352D+00  0.131190D+00 -0.223022D+01 -0.291984D+01 -0.226044D-01
      3   0.948695D+01  0.870096D+01  0.715842D-01  0.227664D+01  0.193273D+01
                81            82            83            84            85 
      1   0.416914D+00  0.387055D+00  0.916905D+00 -0.734417D+00 -0.436129D+00
      2  -0.217717D+00  0.404261D+00 -0.408595D+00  0.359859D+01 -0.373072D+00
      3   0.128660D+01  0.233555D+02 -0.573368D+01 -0.801125D-02  0.550932D+01
                86            87            88            89            90 
      1  -0.881033D+00 -0.773090D+01 -0.191896D+01 -0.249633D+01 -0.310273D+00
      2  -0.211224D+00  0.351422D+00 -0.976901D+00  0.404564D+01  0.485193D+00
      3  -0.853443D+01  0.146675D-01  0.123684D+01 -0.148630D+01 -0.328636D+01
                91            92            93            94            95 
      1   0.250852D-02  0.270032D+00  0.713742D+00  0.413728D+00 -0.734980D+00
      2  -0.193785D+01  0.106140D+00 -0.154343D+00  0.201249D-01 -0.744494D+00
      3  -0.107680D+01 -0.423018D+00 -0.493525D+00  0.930059D+00 -0.445870D+00
                96            97            98            99           100 
      1  -0.562589D-01  0.262504D+00  0.308503D+01  0.260385D+01 -0.213335D+00
      2   0.187301D+00 -0.352395D+01  0.362743D+00 -0.447340D+01 -0.198042D+01
      3   0.653271D+00 -0.999214D+00  0.139024D+01 -0.935444D+00  0.656363D+00
               101           102           103           104           105 
      1   0.322426D+00 -0.699295D+00  0.129067D+00 -0.155673D+00 -0.124592D-01
      2  -0.206962D+00 -0.157654D+00  0.118548D+00 -0.507548D+00 -0.142825D+00
      3  -0.942919D+00  0.530696D+00  0.668677D+00 -0.263973D+00  0.686047D+00
               106           107           108           109           110 
      1  -0.445286D+00  0.301125D+01 -0.307642D+01 -0.722229D+00 -0.407822D-01
      2  -0.406121D+01  0.125949D+00 -0.466679D+01 -0.895996D+00  0.131985D+00
      3   0.649766D+00  0.751363D+00  0.350501D+00 -0.298928D+02  0.770579D+01
               111           112           113           114           115 
      1   0.101597D+01 -0.594638D-01  0.392356D-01 -0.524481D+00  0.216309D+00
      2  -0.295536D+01  0.142547D+00 -0.265816D+00  0.316444D+00 -0.310116D+01
      3   0.305667D+00  0.396735D+01 -0.214019D+01  0.221997D+00 -0.995883D+00
               116           117           118           119           120 
      1   0.476163D+00  0.181951D+00  0.297695D+00 -0.174533D+00 -0.900020D+00
      2   0.505352D+00  0.490793D-01  0.236830D-01 -0.127304D+00  0.101851D+01
      3   0.444974D+00 -0.276480D+00 -0.449934D+01 -0.169195D+01 -0.148179D+00
               121           122           123           124           125 
      1  -0.101963D-01  0.721072D+00  0.326192D-01  0.226107D+00  0.133655D+01
      2   0.861840D-01  0.861190D-01  0.273768D+01  0.400261D+00  0.164893D+01
      3  -0.207525D+01 -0.205519D+02 -0.460207D-01 -0.532150D-01  0.464620D+00
               126           127           128           129           130 
      1   0.442355D-01  0.406599D-01 -0.185092D-01  0.109564D+01 -0.177537D+00
      2   0.486809D-01 -0.533041D+00  0.130152D+00 -0.604757D+00  0.310816D+00
      3  -0.105858D+01 -0.927280D+01  0.596676D+01 -0.116787D+00  0.877344D+01
               131           132           133           134           135 
      1   0.245823D+00 -0.268418D+01 -0.127760D+00 -0.891257D+00  0.142703D+00
      2  -0.316937D+00  0.784217D+00 -0.137354D+01  0.818631D+00  0.136235D+00
      3  -0.121702D+02  0.191368D+00 -0.141287D+01  0.770145D+00 -0.756750D+00
               136           137           138           139           140 
      1   0.204795D+01  0.237026D+00  0.277097D+01  0.547545D+00  0.672305D+00
      2   0.359295D+00 -0.501165D-01  0.235437D+01 -0.143001D+00  0.481306D-01
      3  -0.146672D+02 -0.107351D+02 -0.172049D+01 -0.397725D+01 -0.501387D+01
               141           142           143           144 
      1  -0.800440D-01  0.128889D+01  0.723446D+00  0.108297D+01
      2  -0.857929D+00 -0.179396D+00 -0.172865D+01  0.865879D+00
      3  -0.618146D+00 -0.345304D+01 -0.194867D+01 -0.482784D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.219333D+02  0.350023D+01 -0.116070D+00  0.110023D+01  0.245875D+02
      2   0.126139D+02 -0.589746D+01  0.139284D+01  0.499148D+00 -0.307893D+02
      3   0.931942D+01  0.239722D+01 -0.127677D+01 -0.159938D+01  0.620179D+01
      4  -0.400756D+01  0.786426D+00  0.145968D+00 -0.349301D+01  0.885722D+01
      5  -0.101887D+01 -0.517262D+00 -0.819036D+01 -0.281738D+00  0.245257D+00
      6  -0.250532D+00  0.397410D+00 -0.331787D+01  0.933566D+00 -0.105471D+01
                 6             7             8             9            10 
      1  -0.131899D+01 -0.449612D+01 -0.257844D+01 -0.399522D+01 -0.356410D+01
      2  -0.238424D+00  0.328992D+01  0.260209D+01 -0.708484D+01  0.662459D+01
      3   0.155741D+01  0.120620D+01 -0.236561D-01  0.110801D+02 -0.306049D+01
      4  -0.265395D+00  0.188949D+01 -0.145284D+01  0.328060D+00 -0.208280D+01
      5  -0.174201D+01  0.371352D+01  0.176040D+01 -0.314921D+01  0.405525D+00
      6  -0.955696D+01 -0.582164D+00  0.223880D+01  0.197752D+01 -0.300259D+00
                11            12            13            14            15 
      1  -0.920655D+01  0.275445D+00 -0.142303D+02 -0.364394D+02  0.279628D+00
      2   0.817936D+01 -0.286374D+00  0.888640D+01  0.530938D+02 -0.772947D-01
      3   0.102720D+01  0.109288D-01  0.534390D+01 -0.166544D+02 -0.202333D+00
      4   0.151801D+02 -0.614538D+00  0.143241D+02 -0.258956D+02  0.412598D+00
      5  -0.840115D-01  0.502176D+01  0.105846D+00 -0.124582D+00 -0.350988D+01
      6  -0.295323D-01  0.161710D+01 -0.999950D+00  0.108649D+01  0.158761D+02
                16            17            18            19            20 
      1   0.685568D+00  0.149349D+01 -0.995172D+01  0.661324D+02 -0.215906D+01
      2  -0.104555D+01 -0.126024D+01  0.769893D+01 -0.396240D+02  0.150061D+01
      3   0.359981D+00 -0.233257D+00  0.225280D+01 -0.265084D+02  0.658459D+00
      4  -0.623766D+00  0.350690D+00 -0.723529D+01 -0.386196D+01  0.941188D+01
      5   0.308155D+01 -0.847519D+01  0.117964D+01  0.119056D+01  0.548260D+00
      6   0.918600D+00  0.142593D+02 -0.153381D+01  0.574687D+00 -0.209399D+00
                21            22            23            24            25 
      1   0.127656D+01 -0.102039D+02  0.268635D+01  0.694472D-01  0.405937D+01
      2  -0.849666D+00  0.490475D+01  0.458925D+00  0.202802D+00 -0.316945D+01
      3  -0.426893D+00  0.529916D+01 -0.314528D+01 -0.272249D+00 -0.889914D+00
      4   0.418915D+00  0.115480D+02 -0.178662D+02  0.841735D+00  0.526802D-01
      5   0.176858D+02  0.706894D-01  0.627898D+00 -0.127872D+01  0.193355D+02
      6   0.692217D-01  0.375674D+00 -0.252703D+00  0.427943D+01 -0.207103D+01
                26            27            28            29            30 
      1   0.729078D+00  0.105660D+02 -0.837284D+00  0.391071D+01  0.223848D+01
      2   0.165998D+00 -0.105860D+02  0.828912D+00 -0.936837D+01  0.220357D+01
      3  -0.895076D+00  0.199925D-01  0.837141D-02  0.545766D+01 -0.444206D+01
      4   0.774315D+00 -0.199350D+01 -0.445759D+01 -0.534103D+01 -0.140208D+01
      5   0.211879D+00  0.321601D+01 -0.219527D+01 -0.338062D-01 -0.544967D+00
      6   0.343353D+01 -0.604609D+00  0.917533D+00 -0.178552D+01 -0.551591D+00
                31            32            33            34            35 
      1  -0.251246D+01 -0.177765D+01  0.132942D+01  0.119911D+01 -0.229370D+01
      2  -0.291680D+01 -0.282371D+01 -0.685135D+00  0.176433D+01 -0.433109D+01
      3   0.542927D+01  0.460135D+01 -0.644287D+00 -0.296344D+01  0.662478D+01
      4  -0.978699D+01 -0.122204D+02  0.212705D+00 -0.577954D+01 -0.156877D+00
      5  -0.103906D+00 -0.659501D+00 -0.291702D+01  0.163492D+01  0.120234D+01
      6   0.228923D+00 -0.180296D+00 -0.242205D+01  0.313261D+01 -0.173354D+00
                36            37            38            39            40 
      1   0.102454D+02  0.220533D+01 -0.487708D+01  0.359992D+01  0.326545D+01
      2   0.807724D+01 -0.188607D+01  0.765840D+01  0.149108D+01  0.839511D+00
      3  -0.183227D+02 -0.319258D+00 -0.278132D+01 -0.509100D+01 -0.410496D+01
      4   0.211819D+01  0.224740D+01 -0.470291D+01  0.153311D+00 -0.845055D+01
      5   0.272580D+01  0.188497D+00 -0.630543D+00  0.451297D-01  0.341473D+00
      6   0.849300D+01 -0.117512D+01 -0.115635D+00  0.183667D+01  0.175896D+01
                41            42            43            44            45 
      1  -0.636971D+00 -0.168869D+01  0.565563D+01  0.129973D+01  0.111668D+02
      2  -0.589751D+01 -0.135987D+01  0.858932D+00  0.154658D+01  0.872886D+01
      3   0.653448D+01  0.304856D+01 -0.651456D+01 -0.284631D+01 -0.198956D+02
      4   0.592308D+01  0.587210D+00  0.275711D+01 -0.991372D+00 -0.366208D+01
      5  -0.351132D+00  0.274846D+01  0.121595D+01 -0.197473D+01  0.277769D+01
      6  -0.490996D+00 -0.179314D+01 -0.325099D+01  0.188869D+01 -0.791269D+01
                46            47            48            49            50 
      1  -0.481918D+02  0.386503D+01 -0.216817D+01  0.170012D+02  0.155349D+02
      2   0.305531D+02  0.695151D+00  0.559481D+01 -0.116032D+02 -0.182588D+02
      3   0.176387D+02 -0.456018D+01 -0.342664D+01 -0.539805D+01  0.272385D+01
      4   0.562151D+01 -0.112557D+02  0.114510D+00  0.373885D+01  0.234935D+01
      5  -0.576773D+01  0.105853D+01 -0.130084D+02  0.238736D+01  0.153361D+01
      6  -0.448266D+00 -0.452357D+00  0.269880D+01  0.185264D+01  0.158884D+01
                51            52            53            54            55 
      1   0.975170D+00 -0.106141D+02  0.178888D+01 -0.856518D+01  0.991957D+02
      2  -0.329601D+00  0.788361D+01  0.195444D+00 -0.295770D+01 -0.594586D+02
      3  -0.645570D+00  0.273044D+01 -0.198433D+01  0.115229D+02 -0.397371D+02
      4   0.184008D+01  0.682432D+00 -0.298121D+01  0.136193D+01 -0.228496D+01
      5   0.500250D+01  0.120276D+01  0.476177D+00 -0.713806D+01  0.810372D+01
      6  -0.886778D+01 -0.629198D+00  0.241320D+01 -0.579328D+00  0.275623D+00
                56            57            58            59            60 
      1  -0.852825D+01  0.547908D+01 -0.100683D+02  0.777645D+01 -0.531158D+00
      2   0.639158D+01 -0.563421D+01  0.765688D+01 -0.849966D+00  0.744283D+00
      3   0.213667D+01  0.155126D+00  0.241139D+01 -0.692648D+01 -0.213125D+00
      4   0.236027D+02 -0.498058D+00  0.177512D+02 -0.612576D+01  0.214311D+01
      5  -0.128249D+01  0.239754D+02 -0.105344D+01  0.184040D+01 -0.417425D+01
      6   0.470229D+00 -0.201040D+00  0.940811D+00  0.253566D+00  0.556466D+01
                61            62            63            64            65 
      1   0.891447D+01 -0.141832D+01  0.159547D+02  0.136707D+02 -0.107928D+02
      2  -0.790255D+01  0.501575D+00 -0.146937D+02 -0.557964D+01  0.200007D+02
      3  -0.101191D+01  0.916743D+00 -0.126096D+01 -0.809102D+01 -0.920789D+01
      4  -0.112883D+01  0.412613D+01 -0.286144D+00  0.154899D+02  0.180722D+02
      5   0.259364D+02 -0.190759D+01  0.109862D+02  0.142736D+01  0.896530D-01
      6   0.253503D+01  0.392982D+01  0.108346D+01  0.137208D+01 -0.314060D+00
                66            67            68            69            70 
      1   0.489598D+00 -0.664415D+01  0.378928D+01 -0.306548D+01  0.249541D+01
      2  -0.195864D+01  0.126581D+02  0.320349D+01  0.831970D+00 -0.104075D+01
      3   0.146905D+01 -0.601391D+01 -0.699277D+01  0.223351D+01 -0.145466D+01
      4   0.146222D+01  0.173743D+02  0.190649D+02  0.103226D+01  0.478664D+01
      5   0.734683D+01  0.801347D-02  0.115716D+01  0.343627D+01  0.611923D+01
      6   0.367613D+01 -0.930989D+00  0.281130D+01  0.687424D+01  0.377680D+01
                71            72            73            74            75 
      1  -0.232267D+01 -0.309058D+01 -0.588342D+01 -0.275297D+01 -0.223212D+01
      2   0.562178D+01 -0.147596D+01  0.625290D+01  0.607013D+00 -0.772081D+00
      3  -0.329911D+01  0.456653D+01 -0.369476D+00  0.214596D+01  0.300421D+01
      4   0.403104D+01  0.467885D+01  0.318051D+01  0.199582D+01  0.186618D+01
      5   0.340097D+01  0.151394D+01 -0.157595D+01  0.629100D+00  0.435196D+01
      6   0.701225D+01  0.238477D+01  0.186890D+01 -0.656045D+00  0.378197D+00
                76            77            78            79            80 
      1  -0.199858D+01 -0.194193D+02  0.192556D+01 -0.111530D+01 -0.108749D+01
      2  -0.268531D+01  0.330007D+02  0.123203D+01  0.102573D+01 -0.781433D+00
      3   0.468389D+01 -0.135813D+02 -0.315759D+01  0.895684D-01  0.186893D+01
      4   0.153270D+02 -0.243490D+02 -0.821583D+00  0.139391D+01 -0.317975D+00
      5   0.426541D-01 -0.771197D+00 -0.467234D+01  0.367419D+01 -0.307479D+01
      6  -0.174269D+01  0.704213D+00  0.102013D+02 -0.141140D+01  0.817412D+01
                81            82            83            84            85 
      1  -0.571286D+01  0.106600D+02  0.419442D+01  0.400266D+00 -0.258008D+01
      2   0.171369D+01 -0.299471D+01 -0.193203D+01 -0.617125D+00  0.279460D+01
      3   0.399917D+01 -0.766527D+01 -0.226238D+01  0.216859D+00 -0.214513D+00
      4  -0.312127D+01  0.207304D+02  0.202365D+02 -0.756099D+00  0.832428D+01
      5  -0.280737D+00  0.185897D+00 -0.756437D+00  0.668324D+01 -0.122732D+01
      6   0.641945D+00  0.337833D+00 -0.329660D+00  0.250768D+00 -0.166345D+01
                86            87            88            89            90 
      1  -0.251492D+02  0.300488D+00  0.109979D+00 -0.581092D+00 -0.806672D+01
      2   0.383441D+02 -0.343758D+00 -0.116256D+01  0.182959D+00  0.511480D+01
      3  -0.131949D+02  0.432708D-01  0.105258D+01  0.398133D+00  0.295191D+01
      4   0.196244D+02 -0.137738D+01 -0.153641D+00  0.288152D+00  0.643770D+01
      5  -0.189103D+01  0.175890D+01  0.397034D+01  0.673798D+01 -0.280719D+00
      6  -0.222007D+01  0.142328D+02 -0.364948D-01  0.127537D+02 -0.659909D+00
                91            92            93            94            95 
      1  -0.169225D+01 -0.755658D-01 -0.325197D+01 -0.237465D+00 -0.317938D+01
      2  -0.272149D+01  0.374989D+00 -0.103781D+01 -0.324119D-02  0.397779D+00
      3   0.441374D+01 -0.299423D+00  0.428979D+01  0.240706D+00  0.278160D+01
      4  -0.891620D+00  0.186508D+01 -0.129485D+01  0.262465D+01  0.121730D+01
      5   0.274961D+00 -0.599275D+00  0.484346D+01 -0.170883D+00 -0.616559D+00
      6  -0.175710D+01  0.822437D+00 -0.184358D+01  0.324752D+00 -0.207875D+01
                96            97            98            99           100 
      1   0.183903D+01 -0.369931D+01  0.327010D+01 -0.194191D+02 -0.229052D+01
      2  -0.128611D+01 -0.869396D+00 -0.101340D+01 -0.148529D+02 -0.256510D+01
      3  -0.552914D+00  0.456871D+01 -0.225671D+01  0.342720D+02  0.485562D+01
      4  -0.118983D+01 -0.102019D+01 -0.264323D+01 -0.131928D+00  0.128059D+01
      5   0.551408D+00  0.386302D+01  0.191428D+00 -0.575583D+01  0.383242D+00
      6   0.632407D+01 -0.101267D+01  0.544391D+01 -0.101634D+02  0.153095D+01
               101           102           103           104           105 
      1   0.533807D+00 -0.345063D+01  0.621456D+00 -0.292157D+01 -0.110561D+01
      2  -0.424714D+00 -0.105668D+01 -0.127917D+00 -0.906451D-01  0.183414D+01
      3  -0.109093D+00  0.450731D+01 -0.493539D+00  0.301221D+01 -0.728536D+00
      4   0.233791D+01  0.118325D+01  0.230524D+01 -0.307174D+00 -0.111395D+01
      5   0.267724D+00  0.530149D+01 -0.144820D+00 -0.480873D+00 -0.221151D+00
      6   0.662917D+00  0.156024D+01  0.706329D+00  0.125894D+01  0.616509D+01
               106           107           108           109           110 
      1  -0.541507D+01 -0.204864D+01 -0.211485D+02 -0.121249D+02  0.368677D+01
      2  -0.952989D+00  0.226465D+01 -0.153796D+02  0.610244D+01 -0.448052D+01
      3   0.636806D+01 -0.216004D+00  0.365281D+02  0.602243D+01  0.793757D+00
      4   0.145265D+01 -0.227806D+01  0.996154D+00 -0.176781D+02 -0.126412D+02
      5   0.400663D+01  0.582553D-01 -0.570932D+01 -0.501541D+00  0.423170D+00
      6   0.133168D+01  0.484883D+01  0.898405D+01 -0.488421D+00  0.372838D+00
               111           112           113           114           115 
      1  -0.493663D+00  0.171817D+01 -0.545692D+01  0.335901D+00  0.519397D-01
      2   0.151212D-01 -0.167999D+01  0.746433D+01 -0.309174D+00  0.142422D-01
      3   0.478542D+00 -0.381785D-01 -0.200741D+01 -0.267273D-01 -0.661819D-01
      4   0.448272D+00  0.535212D+00  0.132689D+01  0.110116D+00 -0.357342D+00
      5  -0.544488D+01  0.292133D-01 -0.277575D+00  0.508472D+00  0.352319D+00
      6  -0.130588D+01  0.282457D+00 -0.455277D+00  0.149699D+01 -0.208996D+00
               116           117           118           119           120 
      1   0.679270D+00 -0.220471D+01  0.994680D+01  0.702349D+01  0.601744D-02
      2  -0.637528D+00  0.628060D+00 -0.445647D+01 -0.316946D+01  0.123009D+00
      3  -0.417421D-01  0.157665D+01 -0.549033D+01 -0.385403D+01 -0.129027D+00
      4   0.193994D+00  0.431701D+00  0.801913D+01  0.614528D+01  0.301596D-01
      5   0.793426D+00  0.226747D+00 -0.211489D+00  0.842343D-01  0.235283D+01
      6   0.249586D+01 -0.513855D+00  0.539215D-02  0.555968D-01  0.132032D+01
               121           122           123           124           125 
      1   0.206342D+02  0.474985D+01  0.615302D+00 -0.843806D+00  0.130383D+00
      2  -0.119942D+02 -0.161600D+01 -0.582277D+00  0.387712D+00 -0.276391D+00
      3  -0.864000D+01 -0.313385D+01 -0.330247D-01  0.456094D+00  0.146008D+00
      4   0.722052D+01  0.224546D+02 -0.162866D+00  0.298724D-01 -0.219391D+00
      5   0.521404D+00 -0.307344D+00  0.442029D+01  0.437842D+01  0.270707D+01
      6   0.578994D-01  0.369116D+00 -0.112213D+00  0.656556D+00  0.162264D+01
               126           127           128           129           130 
      1   0.167878D+01 -0.429701D+01  0.938726D+01 -0.675519D+00  0.724320D+01
      2  -0.191079D+01  0.450187D+01 -0.126247D+02  0.189502D+00 -0.697432D+01
      3   0.232012D+00 -0.204867D+00  0.323742D+01  0.486017D+00 -0.268877D+00
      4   0.275893D+01 -0.367766D+01 -0.111819D+01 -0.314840D+00  0.353398D+01
      5   0.233432D+00 -0.262051D+00  0.862625D-01 -0.954397D+00  0.717461D-01
      6   0.798951D-01 -0.715766D+00  0.940562D+00 -0.146492D+01  0.120345D+00
               131           132           133           134           135 
      1  -0.212586D+02  0.738974D+00 -0.473489D+00  0.190575D+01 -0.339708D+01
      2   0.317621D+02 -0.102857D+01  0.531560D+00 -0.219750D+01  0.313539D+01
      3  -0.105035D+02  0.289596D+00 -0.580711D-01  0.291748D+00  0.261691D+00
      4   0.736156D+01 -0.346472D+00 -0.683545D+00 -0.697839D+00  0.736850D+00
      5  -0.684676D+00  0.173600D+01  0.979759D+00  0.913139D+00  0.338642D+00
      6  -0.188383D+01  0.447801D+01 -0.374615D+00  0.552323D+01 -0.659025D+00
               136           137           138           139           140 
      1   0.160012D+02  0.298896D+01  0.199621D+01 -0.345787D+01  0.478143D+01
      2  -0.669043D+01 -0.785976D+01 -0.484065D+00  0.443935D+00 -0.273277D+01
      3  -0.931081D+01  0.487080D+01 -0.151215D+01  0.301393D+01 -0.204866D+01
      4  -0.171033D+02  0.139251D+02 -0.189542D+01  0.487118D+01 -0.891446D+00
      5   0.190321D+01 -0.236216D+00  0.353718D+01 -0.596288D+00  0.760145D+00
      6  -0.174753D+01  0.170219D+00 -0.472255D+01  0.284796D+00 -0.408943D+00
               141           142           143           144 
      1  -0.635930D-01  0.179895D+01  0.166906D+01  0.605208D+00
      2   0.124182D+00 -0.129951D+01 -0.194810D+01 -0.149019D+01
      3  -0.605893D-01 -0.499449D+00  0.279036D+00  0.884985D+00
      4   0.627742D+00 -0.329792D+01  0.197446D+01 -0.341814D+01
      5  -0.164694D+01  0.428363D+01 -0.249701D+01  0.164584D+01
      6   0.261607D+00 -0.224996D+01  0.263534D+01 -0.197117D+01
 Leave Link  716 at Thu Jul  8 23:03:49 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.877481D+02  0.523758D+00  0.253008D+01
      2   0.523758D+00  0.784999D+02 -0.953106D+00
      3   0.253008D+01 -0.953106D+00  0.530021D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.217686D+01 -0.989479D+00 -0.669092D+01
      2  -0.287748D+01 -0.116983D+01 -0.381791D+01
      3  -0.116298D+02 -0.141331D+01 -0.423548D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.113125D+02  0.149728D+02 -0.854710D+01
      2   0.460748D+01 -0.801454D+01  0.556889D+01
      3   0.670502D+01 -0.695823D+01  0.297821D+01
      4   0.170507D+02 -0.331574D+01  0.250791D+00
      5  -0.808258D+01  0.750543D+00 -0.432656D+01
      6  -0.350979D+00  0.119941D+01  0.156659D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.209525D+01 -0.790938D+00 -0.157314D+00  0.231908D+01  0.202744D+01
      2  -0.790938D+00  0.245511D+01  0.974185D-01  0.202744D+01  0.528143D+01
      3  -0.157314D+00  0.974185D-01  0.541867D+00 -0.985456D-01 -0.359753D+00
                 6             7             8             9            10 
      1  -0.985456D-01 -0.875876D+00  0.548255D+00  0.450239D+00 -0.290406D+01
      2  -0.359753D+00  0.548255D+00 -0.457429D+00  0.242477D+00 -0.223597D+01
      3   0.127614D+00  0.450239D+00  0.242477D+00 -0.544997D+00  0.207624D+00
                11            12            13            14            15 
      1  -0.223597D+01  0.207624D+00 -0.554848D+01 -0.643059D+00  0.109272D+00
      2  -0.119441D+01  0.126030D+00 -0.643059D+00 -0.116617D+02  0.393920D+00
      3   0.126030D+00 -0.587498D+00  0.109272D+00  0.393920D+00 -0.189010D+01
                16            17            18            19            20 
      1   0.338924D+00  0.904180D-01 -0.450110D+00  0.937628D+01 -0.370810D+00
      2   0.904180D-01  0.435725D+00 -0.269632D+01 -0.370810D+00  0.490232D+00
      3  -0.450110D+00 -0.269632D+01  0.489309D+00  0.277273D+00  0.755015D-01
                21            22            23            24            25 
      1   0.277273D+00 -0.243995D+01  0.104794D+01  0.397612D-01  0.115959D+01
      2   0.755015D-01  0.104794D+01 -0.366225D+01  0.115827D+00 -0.274932D+00
      3   0.122822D+01  0.397612D-01  0.115827D+00 -0.128199D+00  0.234742D+01
                26            27            28            29            30 
      1  -0.274932D+00  0.234742D+01  0.411971D+01 -0.855038D+00 -0.809763D+00
      2   0.177662D+00  0.155417D+00 -0.855038D+00 -0.183127D+01 -0.456571D+00
      3   0.155417D+00  0.432156D+00 -0.809763D+00 -0.456571D+00  0.162493D+01
                31            32            33            34            35 
      1  -0.130503D+01 -0.263889D+01  0.680339D-01 -0.182585D+01 -0.955897D+00
      2  -0.263889D+01 -0.245081D+01 -0.388148D+00 -0.955897D+00 -0.555368D-02
      3   0.680339D-01 -0.388148D+00  0.735481D-01  0.173600D+01 -0.539018D+00
                36            37            38            39            40 
      1   0.173600D+01 -0.456653D+01  0.136124D+01  0.508232D+00 -0.778672D+00
      2  -0.539018D+00  0.136124D+01  0.208592D+01  0.384166D-01  0.259880D+01
      3   0.663135D+01  0.508232D+00  0.384166D-01 -0.155867D+01  0.211509D+00
                41            42            43            44            45 
      1   0.259880D+01  0.211509D+00  0.106658D+01 -0.798444D+00 -0.199080D+01
      2  -0.104099D+01  0.495793D+00 -0.798444D+00  0.395702D+00  0.643586D+00
      3   0.495793D+00  0.727306D+00 -0.199080D+01  0.643586D+00 -0.694031D+01
                46            47            48            49            50 
      1   0.663858D+01 -0.269314D+01  0.107996D+01 -0.438517D+01 -0.161968D+01
      2  -0.269314D+01  0.770786D+00 -0.882040D-01 -0.161968D+01  0.302599D+00
      3   0.107996D+01 -0.882040D-01  0.575892D+00 -0.295809D+00 -0.306642D+00
                51            52            53            54            55 
      1  -0.295809D+00  0.178405D+01  0.827568D-01  0.359715D+00 -0.151214D+02
      2  -0.306642D+00  0.827568D-01  0.315778D+00 -0.592621D+00  0.161532D+01
      3  -0.931503D+00  0.359715D+00 -0.592621D+00  0.879306D+00 -0.134313D+01
                56            57            58            59            60 
      1   0.161532D+01 -0.134313D+01  0.196154D+01 -0.219639D+01  0.140125D+00
      2  -0.371264D+01  0.178978D+00 -0.219639D+01  0.194713D+01 -0.342488D+00
      3   0.178978D+00 -0.227755D+01  0.140125D+00 -0.342488D+00  0.886748D+00
                61            62            63            64            65 
      1  -0.206321D+01  0.278115D-01 -0.352780D+01  0.521740D+01  0.155855D+01
      2   0.278115D-01 -0.803566D+00  0.492845D+00  0.155855D+01  0.482389D+01
      3  -0.352780D+01  0.492845D+00 -0.167594D+01  0.540024D+00  0.185371D-01
                66            67            68            69            70 
      1   0.540024D+00  0.852121D+00  0.391022D+01 -0.157310D+00  0.115586D+01
      2   0.185371D-01  0.391022D+01  0.181665D+01  0.480474D+00  0.444187D+00
      3   0.147189D+00 -0.157310D+00  0.480474D+00 -0.339941D+00  0.642292D+00
                71            72            73            74            75 
      1   0.444187D+00  0.642292D+00  0.255553D+01  0.168210D+01  0.247165D+00
      2   0.128179D+01  0.107536D+01  0.168210D+01  0.139480D+01 -0.258541D+00
      3   0.107536D+01  0.166894D+00  0.247165D+00 -0.258541D+00  0.883221D+00
                76            77            78            79            80 
      1   0.242782D+01 -0.168159D+01 -0.376404D+00  0.673239D+00  0.799976D-01
      2  -0.168159D+01  0.739229D+01  0.846195D-01  0.799976D-01  0.283741D+00
      3  -0.376404D+00  0.846195D-01  0.239428D+00 -0.206503D+00  0.120281D+01
                81            82            83            84            85 
      1  -0.206503D+00 -0.828599D+01 -0.149010D+01  0.316298D-01  0.719468D+00
      2   0.120281D+01 -0.149010D+01 -0.130327D+01  0.138052D+00 -0.395284D+00
      3   0.417143D+00  0.316298D-01  0.138052D+00 -0.110781D+00  0.252776D+00
                86            87            88            89            90 
      1  -0.395284D+00  0.252776D+00 -0.220575D+00  0.158833D+00  0.119936D+00
      2  -0.764506D+01  0.101339D+00  0.158833D+00 -0.191073D+00 -0.197522D+01
      3   0.101339D+00 -0.108082D+01  0.119936D+00 -0.197522D+01  0.102180D+00
                91            92            93            94            95 
      1  -0.160039D+01  0.137208D+00 -0.105010D+01  0.223198D+00  0.428405D+00
      2   0.137208D+00 -0.383847D-02  0.760575D-01  0.428405D+00  0.703917D+00
      3  -0.105010D+01  0.760575D-01 -0.135993D+01 -0.588230D-01 -0.113041D+01
                96            97            98            99           100 
      1  -0.588230D-01 -0.145311D+01  0.300354D+00 -0.632969D+00  0.169814D+01
      2  -0.113041D+01  0.300354D+00 -0.186081D+01  0.642215D+00 -0.221012D+00
      3   0.621544D+00 -0.632969D+00  0.642215D+00 -0.806010D+01  0.114402D+01
               101           102           103           104           105 
      1  -0.221012D+00  0.114402D+01 -0.155775D+00 -0.350579D+00  0.617978D-02
      2  -0.130478D+00 -0.222796D-01 -0.350579D+00  0.313533D+00  0.108506D+01
      3  -0.222796D-01  0.140140D+01  0.617978D-02  0.108506D+01  0.288309D+00
               106           107           108           109           110 
      1   0.174302D+01  0.237662D+00  0.103154D+01  0.957785D+01 -0.419367D+00
      2   0.237662D+00  0.155252D+01  0.105202D+00 -0.419367D+00  0.134008D+01
      3   0.103154D+01  0.105202D+00  0.842521D+01 -0.100431D+00 -0.759524D-01
               111           112           113           114           115 
      1  -0.100431D+00 -0.322485D+00  0.370190D+00 -0.727734D-01  0.272766D+00
      2  -0.759524D-01  0.370190D+00 -0.166885D+01  0.964069D-01 -0.100021D+00
      3   0.357441D+00 -0.727734D-01  0.964069D-01 -0.513323D+00 -0.235775D-01
               116           117           118           119           120 
      1  -0.100021D+00 -0.235775D-01  0.206690D+01  0.134024D+01  0.867598D-02
      2   0.226904D+00 -0.523083D+00  0.134024D+01  0.811820D+00  0.481299D-01
      3  -0.523083D+00  0.131339D+00  0.867598D-02  0.481299D-01  0.686680D+00
               121           122           123           124           125 
      1   0.384406D+01  0.104317D+01  0.116331D+00 -0.150936D+00  0.444617D-01
      2   0.104317D+01  0.447255D+01 -0.489675D-01  0.444617D-01 -0.583740D-01
      3   0.116331D+00 -0.489675D-01  0.588323D+00  0.671673D+00  0.375283D+00
               126           127           128           129           130 
      1   0.671673D+00 -0.160783D+01  0.771110D+00 -0.768676D-01  0.198614D+01
      2   0.375283D+00  0.771110D+00 -0.252104D+01 -0.227010D-01 -0.946073D+00
      3   0.944300D-01 -0.768676D-01 -0.227010D-01 -0.295315D+00  0.221235D-01
               131           132           133           134           135 
      1  -0.946073D+00  0.221235D-01 -0.382330D+00  0.518211D-01  0.791921D-01
      2   0.628795D+01 -0.156450D+00  0.518211D-01 -0.537205D+00  0.866160D+00
      3  -0.156450D+00  0.109753D+01  0.791921D-01  0.866160D+00 -0.656183D-01
               136           137           138           139           140 
      1  -0.506891D+01  0.610616D+00 -0.506997D+00  0.602128D+00 -0.954619D+00
      2   0.610616D+00 -0.347570D+01  0.127128D+00 -0.954619D+00 -0.388427D+00
      3  -0.506997D+00  0.127128D+00 -0.125709D+01  0.935533D-01 -0.120580D+00
               141           142           143           144 
      1   0.935533D-01 -0.122213D+01  0.627358D-01 -0.606256D+00
      2  -0.120580D+00  0.627358D-01 -0.755807D+00  0.524904D+00
      3   0.233537D+00 -0.606256D+00  0.524904D+00 -0.482354D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.355190D-01 -0.641055D+00  0.110390D+01 -0.286248D+01  0.107733D+01
      2   0.126538D+01 -0.163322D+01 -0.518189D+01 -0.274634D+01 -0.270756D+00
      3   0.516907D+00 -0.485255D+01  0.824645D+00 -0.841687D+01 -0.603378D+01
                 6             7             8             9            10 
      1   0.786704D+01 -0.125246D+01  0.107440D+02 -0.201998D+01  0.488037D+00
      2   0.296312D+00 -0.144261D+02  0.327586D+01 -0.288058D+01 -0.233068D+00
      3   0.141794D+01  0.303618D+01  0.167128D+01 -0.182269D+01  0.823608D+01
                11            12            13            14            15 
      1   0.352634D+00 -0.694591D+00  0.373411D+00  0.147012D+01 -0.102725D+02
      2   0.283250D+00  0.330615D+01  0.245912D+00  0.570386D+00 -0.175654D+01
      3  -0.783045D+00 -0.698571D+00  0.187053D+02  0.173433D+02 -0.969023D+00
                16            17            18            19            20 
      1   0.164052D+01 -0.718016D+00  0.127915D+01  0.432764D+00 -0.692800D-01
      2  -0.248950D+01 -0.530617D+01  0.115701D+01  0.134237D+01  0.650608D-01
      3  -0.186748D+01 -0.521005D+00  0.521169D+01 -0.237820D+01 -0.804473D+01
                21            22            23            24            25 
      1  -0.204810D+00  0.500347D+00 -0.693998D+00 -0.234575D+01  0.185877D+01
      2   0.921054D+01  0.860078D+00  0.220107D+00 -0.149030D+01  0.525615D+01
      3  -0.172251D+00  0.886396D+00  0.154507D+02 -0.174680D+00 -0.917992D+00
                26            27            28            29            30 
      1   0.125915D+01  0.420718D+00  0.176408D+01  0.722549D+00  0.153826D+01
      2  -0.198305D+01  0.170710D+01 -0.194281D+01  0.109751D+00  0.235061D+01
      3  -0.138107D+01 -0.125221D+01 -0.870279D+00 -0.201607D+01 -0.212715D+00
                31            32            33            34            35 
      1   0.284155D+01  0.163561D+01 -0.156993D+01 -0.362681D-01  0.179597D+01
      2   0.145350D+01 -0.274927D+00 -0.233973D+01 -0.327050D+01 -0.842744D+00
      3   0.610432D+01  0.104803D+01 -0.441464D+00 -0.130445D+00 -0.993968D+00
                36            37            38            39            40 
      1  -0.645115D+00 -0.182493D+01  0.181647D+01 -0.145549D+01  0.106753D+01
      2   0.288815D+01  0.205712D+00 -0.288730D+00  0.263610D+01 -0.115751D+01
      3   0.104779D+01  0.135986D+01 -0.115197D+01  0.515255D+00  0.716179D+01
                41            42            43            44            45 
      1  -0.428884D+00 -0.149126D+01  0.158714D-01  0.203302D+01  0.110651D+01
      2  -0.534177D+00  0.204272D+01 -0.352689D+01 -0.821625D+00  0.311275D+01
      3   0.211910D+01  0.341177D+00  0.281428D+00 -0.535491D+00 -0.402034D+00
                46            47            48            49            50 
      1   0.610177D+00 -0.475489D+01 -0.689009D+00 -0.296741D+01 -0.128831D+01
      2   0.286696D+01  0.219303D+01 -0.844485D+01  0.214908D+01  0.892130D+00
      3  -0.633451D+01  0.662579D+01 -0.122788D+01  0.233347D+01 -0.372991D+01
                51            52            53            54            55 
      1   0.597510D+01  0.267537D+01  0.135602D+02  0.111178D+01 -0.989792D+00
      2   0.186197D+01 -0.136195D+02 -0.294617D+01 -0.535047D+01  0.121362D+01
      3   0.128014D+01 -0.117638D+01  0.531459D+01 -0.784461D+00  0.980070D+01
                56            57            58            59            60 
      1   0.213391D+01  0.458651D-01  0.763350D+00 -0.486141D+00 -0.343081D+01
      2  -0.728127D+00  0.137478D+02 -0.852992D+00  0.838143D+00 -0.164166D+01
      3  -0.198621D+02  0.114766D+01 -0.237115D+01  0.925098D+01 -0.981163D+00
                61            62            63            64            65 
      1  -0.280121D+01  0.120338D+01 -0.108561D+01 -0.820853D+00 -0.285974D+00
      2   0.542876D+01  0.133751D+01  0.489993D+01  0.831192D+00  0.524546D+00
      3   0.846084D+00 -0.437104D+01  0.300600D+01  0.115543D+02 -0.112036D+02
                66            67            68            69            70 
      1  -0.262765D+01 -0.703163D+00 -0.263616D+01 -0.395563D+01 -0.119361D+01
      2   0.389829D+01 -0.713225D+00  0.339673D+00  0.188115D+01 -0.149517D+01
      3   0.504731D+00 -0.380797D+01  0.523400D+01 -0.382317D+00  0.267958D+01
                71            72            73            74            75 
      1   0.309823D+01 -0.172953D+01 -0.153530D+01 -0.786926D+00 -0.279068D+00
      2   0.126738D+01  0.973570D+00  0.276279D+00 -0.577019D+00  0.187937D+01
      3  -0.150240D+01 -0.279297D+00  0.132496D+02  0.788947D+01  0.144589D+01
                76            77            78            79            80 
      1  -0.685717D+00  0.191985D+01 -0.622210D+01 -0.146133D+00  0.103205D+01
      2   0.599352D+00  0.131190D+00 -0.223022D+01 -0.291984D+01 -0.226044D-01
      3   0.948695D+01  0.870096D+01  0.715842D-01  0.227664D+01  0.193273D+01
                81            82            83            84            85 
      1   0.416914D+00  0.387055D+00  0.916905D+00 -0.734417D+00 -0.436129D+00
      2  -0.217717D+00  0.404261D+00 -0.408595D+00  0.359859D+01 -0.373072D+00
      3   0.128660D+01  0.233555D+02 -0.573368D+01 -0.801125D-02  0.550932D+01
                86            87            88            89            90 
      1  -0.881033D+00 -0.773090D+01 -0.191896D+01 -0.249633D+01 -0.310273D+00
      2  -0.211224D+00  0.351422D+00 -0.976901D+00  0.404564D+01  0.485193D+00
      3  -0.853443D+01  0.146675D-01  0.123684D+01 -0.148630D+01 -0.328636D+01
                91            92            93            94            95 
      1   0.250852D-02  0.270032D+00  0.713742D+00  0.413728D+00 -0.734980D+00
      2  -0.193785D+01  0.106140D+00 -0.154343D+00  0.201249D-01 -0.744494D+00
      3  -0.107680D+01 -0.423018D+00 -0.493525D+00  0.930059D+00 -0.445870D+00
                96            97            98            99           100 
      1  -0.562589D-01  0.262504D+00  0.308503D+01  0.260385D+01 -0.213335D+00
      2   0.187301D+00 -0.352395D+01  0.362743D+00 -0.447340D+01 -0.198042D+01
      3   0.653271D+00 -0.999214D+00  0.139024D+01 -0.935444D+00  0.656363D+00
               101           102           103           104           105 
      1   0.322426D+00 -0.699295D+00  0.129067D+00 -0.155673D+00 -0.124592D-01
      2  -0.206962D+00 -0.157654D+00  0.118548D+00 -0.507548D+00 -0.142825D+00
      3  -0.942919D+00  0.530696D+00  0.668677D+00 -0.263973D+00  0.686047D+00
               106           107           108           109           110 
      1  -0.445286D+00  0.301125D+01 -0.307642D+01 -0.722229D+00 -0.407822D-01
      2  -0.406121D+01  0.125949D+00 -0.466679D+01 -0.895996D+00  0.131985D+00
      3   0.649766D+00  0.751363D+00  0.350501D+00 -0.298928D+02  0.770579D+01
               111           112           113           114           115 
      1   0.101597D+01 -0.594638D-01  0.392356D-01 -0.524481D+00  0.216309D+00
      2  -0.295536D+01  0.142547D+00 -0.265816D+00  0.316444D+00 -0.310116D+01
      3   0.305667D+00  0.396735D+01 -0.214019D+01  0.221997D+00 -0.995883D+00
               116           117           118           119           120 
      1   0.476163D+00  0.181951D+00  0.297695D+00 -0.174533D+00 -0.900020D+00
      2   0.505352D+00  0.490793D-01  0.236830D-01 -0.127304D+00  0.101851D+01
      3   0.444974D+00 -0.276480D+00 -0.449934D+01 -0.169195D+01 -0.148179D+00
               121           122           123           124           125 
      1  -0.101963D-01  0.721072D+00  0.326192D-01  0.226107D+00  0.133655D+01
      2   0.861840D-01  0.861190D-01  0.273768D+01  0.400261D+00  0.164893D+01
      3  -0.207525D+01 -0.205519D+02 -0.460207D-01 -0.532150D-01  0.464620D+00
               126           127           128           129           130 
      1   0.442355D-01  0.406599D-01 -0.185092D-01  0.109564D+01 -0.177537D+00
      2   0.486809D-01 -0.533041D+00  0.130152D+00 -0.604757D+00  0.310816D+00
      3  -0.105858D+01 -0.927280D+01  0.596676D+01 -0.116787D+00  0.877344D+01
               131           132           133           134           135 
      1   0.245823D+00 -0.268418D+01 -0.127760D+00 -0.891257D+00  0.142703D+00
      2  -0.316937D+00  0.784217D+00 -0.137354D+01  0.818631D+00  0.136235D+00
      3  -0.121702D+02  0.191368D+00 -0.141287D+01  0.770145D+00 -0.756750D+00
               136           137           138           139           140 
      1   0.204795D+01  0.237026D+00  0.277097D+01  0.547545D+00  0.672305D+00
      2   0.359295D+00 -0.501165D-01  0.235437D+01 -0.143001D+00  0.481306D-01
      3  -0.146672D+02 -0.107351D+02 -0.172049D+01 -0.397725D+01 -0.501387D+01
               141           142           143           144 
      1  -0.800440D-01  0.128889D+01  0.723446D+00  0.108297D+01
      2  -0.857929D+00 -0.179396D+00 -0.172865D+01  0.865879D+00
      3  -0.618146D+00 -0.345304D+01 -0.194867D+01 -0.482784D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.219333D+02  0.350023D+01 -0.116070D+00  0.110023D+01  0.245875D+02
      2   0.126139D+02 -0.589746D+01  0.139284D+01  0.499148D+00 -0.307893D+02
      3   0.931942D+01  0.239722D+01 -0.127677D+01 -0.159938D+01  0.620179D+01
      4  -0.400756D+01  0.786426D+00  0.145968D+00 -0.349301D+01  0.885722D+01
      5  -0.101887D+01 -0.517262D+00 -0.819036D+01 -0.281738D+00  0.245257D+00
      6  -0.250532D+00  0.397410D+00 -0.331787D+01  0.933566D+00 -0.105471D+01
                 6             7             8             9            10 
      1  -0.131899D+01 -0.449612D+01 -0.257844D+01 -0.399522D+01 -0.356410D+01
      2  -0.238424D+00  0.328992D+01  0.260209D+01 -0.708484D+01  0.662459D+01
      3   0.155741D+01  0.120620D+01 -0.236561D-01  0.110801D+02 -0.306049D+01
      4  -0.265395D+00  0.188949D+01 -0.145284D+01  0.328060D+00 -0.208280D+01
      5  -0.174201D+01  0.371352D+01  0.176040D+01 -0.314921D+01  0.405525D+00
      6  -0.955696D+01 -0.582164D+00  0.223880D+01  0.197752D+01 -0.300259D+00
                11            12            13            14            15 
      1  -0.920655D+01  0.275445D+00 -0.142303D+02 -0.364394D+02  0.279628D+00
      2   0.817936D+01 -0.286374D+00  0.888640D+01  0.530938D+02 -0.772947D-01
      3   0.102720D+01  0.109288D-01  0.534390D+01 -0.166544D+02 -0.202333D+00
      4   0.151801D+02 -0.614538D+00  0.143241D+02 -0.258956D+02  0.412598D+00
      5  -0.840115D-01  0.502176D+01  0.105846D+00 -0.124582D+00 -0.350988D+01
      6  -0.295323D-01  0.161710D+01 -0.999950D+00  0.108649D+01  0.158761D+02
                16            17            18            19            20 
      1   0.685568D+00  0.149349D+01 -0.995172D+01  0.661324D+02 -0.215906D+01
      2  -0.104555D+01 -0.126024D+01  0.769893D+01 -0.396240D+02  0.150061D+01
      3   0.359981D+00 -0.233257D+00  0.225280D+01 -0.265084D+02  0.658459D+00
      4  -0.623766D+00  0.350690D+00 -0.723529D+01 -0.386196D+01  0.941188D+01
      5   0.308155D+01 -0.847519D+01  0.117964D+01  0.119056D+01  0.548260D+00
      6   0.918600D+00  0.142593D+02 -0.153381D+01  0.574687D+00 -0.209399D+00
                21            22            23            24            25 
      1   0.127656D+01 -0.102039D+02  0.268635D+01  0.694472D-01  0.405937D+01
      2  -0.849666D+00  0.490475D+01  0.458925D+00  0.202802D+00 -0.316945D+01
      3  -0.426893D+00  0.529916D+01 -0.314528D+01 -0.272249D+00 -0.889914D+00
      4   0.418915D+00  0.115480D+02 -0.178662D+02  0.841735D+00  0.526802D-01
      5   0.176858D+02  0.706894D-01  0.627898D+00 -0.127872D+01  0.193355D+02
      6   0.692217D-01  0.375674D+00 -0.252703D+00  0.427943D+01 -0.207103D+01
                26            27            28            29            30 
      1   0.729078D+00  0.105660D+02 -0.837284D+00  0.391071D+01  0.223848D+01
      2   0.165998D+00 -0.105860D+02  0.828912D+00 -0.936837D+01  0.220357D+01
      3  -0.895076D+00  0.199925D-01  0.837141D-02  0.545766D+01 -0.444206D+01
      4   0.774315D+00 -0.199350D+01 -0.445759D+01 -0.534103D+01 -0.140208D+01
      5   0.211879D+00  0.321601D+01 -0.219527D+01 -0.338062D-01 -0.544967D+00
      6   0.343353D+01 -0.604609D+00  0.917533D+00 -0.178552D+01 -0.551591D+00
                31            32            33            34            35 
      1  -0.251246D+01 -0.177765D+01  0.132942D+01  0.119911D+01 -0.229370D+01
      2  -0.291680D+01 -0.282371D+01 -0.685135D+00  0.176433D+01 -0.433109D+01
      3   0.542927D+01  0.460135D+01 -0.644287D+00 -0.296344D+01  0.662478D+01
      4  -0.978699D+01 -0.122204D+02  0.212705D+00 -0.577954D+01 -0.156877D+00
      5  -0.103906D+00 -0.659501D+00 -0.291702D+01  0.163492D+01  0.120234D+01
      6   0.228923D+00 -0.180296D+00 -0.242205D+01  0.313261D+01 -0.173354D+00
                36            37            38            39            40 
      1   0.102454D+02  0.220533D+01 -0.487708D+01  0.359992D+01  0.326545D+01
      2   0.807724D+01 -0.188607D+01  0.765840D+01  0.149108D+01  0.839511D+00
      3  -0.183227D+02 -0.319258D+00 -0.278132D+01 -0.509100D+01 -0.410496D+01
      4   0.211819D+01  0.224740D+01 -0.470291D+01  0.153311D+00 -0.845055D+01
      5   0.272580D+01  0.188497D+00 -0.630543D+00  0.451297D-01  0.341473D+00
      6   0.849300D+01 -0.117512D+01 -0.115635D+00  0.183667D+01  0.175896D+01
                41            42            43            44            45 
      1  -0.636971D+00 -0.168869D+01  0.565563D+01  0.129973D+01  0.111668D+02
      2  -0.589751D+01 -0.135987D+01  0.858932D+00  0.154658D+01  0.872886D+01
      3   0.653448D+01  0.304856D+01 -0.651456D+01 -0.284631D+01 -0.198956D+02
      4   0.592308D+01  0.587210D+00  0.275711D+01 -0.991372D+00 -0.366208D+01
      5  -0.351132D+00  0.274846D+01  0.121595D+01 -0.197473D+01  0.277769D+01
      6  -0.490996D+00 -0.179314D+01 -0.325099D+01  0.188869D+01 -0.791269D+01
                46            47            48            49            50 
      1  -0.481918D+02  0.386503D+01 -0.216817D+01  0.170012D+02  0.155349D+02
      2   0.305531D+02  0.695151D+00  0.559481D+01 -0.116032D+02 -0.182588D+02
      3   0.176387D+02 -0.456018D+01 -0.342664D+01 -0.539805D+01  0.272385D+01
      4   0.562151D+01 -0.112557D+02  0.114510D+00  0.373885D+01  0.234935D+01
      5  -0.576773D+01  0.105853D+01 -0.130084D+02  0.238736D+01  0.153361D+01
      6  -0.448266D+00 -0.452357D+00  0.269880D+01  0.185264D+01  0.158884D+01
                51            52            53            54            55 
      1   0.975170D+00 -0.106141D+02  0.178888D+01 -0.856518D+01  0.991957D+02
      2  -0.329601D+00  0.788361D+01  0.195444D+00 -0.295770D+01 -0.594586D+02
      3  -0.645570D+00  0.273044D+01 -0.198433D+01  0.115229D+02 -0.397371D+02
      4   0.184008D+01  0.682432D+00 -0.298121D+01  0.136193D+01 -0.228496D+01
      5   0.500250D+01  0.120276D+01  0.476177D+00 -0.713806D+01  0.810372D+01
      6  -0.886778D+01 -0.629198D+00  0.241320D+01 -0.579328D+00  0.275623D+00
                56            57            58            59            60 
      1  -0.852825D+01  0.547908D+01 -0.100683D+02  0.777645D+01 -0.531158D+00
      2   0.639158D+01 -0.563421D+01  0.765688D+01 -0.849966D+00  0.744283D+00
      3   0.213667D+01  0.155126D+00  0.241139D+01 -0.692648D+01 -0.213125D+00
      4   0.236027D+02 -0.498058D+00  0.177512D+02 -0.612576D+01  0.214311D+01
      5  -0.128249D+01  0.239754D+02 -0.105344D+01  0.184040D+01 -0.417425D+01
      6   0.470229D+00 -0.201040D+00  0.940811D+00  0.253566D+00  0.556466D+01
                61            62            63            64            65 
      1   0.891447D+01 -0.141832D+01  0.159547D+02  0.136707D+02 -0.107928D+02
      2  -0.790255D+01  0.501575D+00 -0.146937D+02 -0.557964D+01  0.200007D+02
      3  -0.101191D+01  0.916743D+00 -0.126096D+01 -0.809102D+01 -0.920789D+01
      4  -0.112883D+01  0.412613D+01 -0.286144D+00  0.154899D+02  0.180722D+02
      5   0.259364D+02 -0.190759D+01  0.109862D+02  0.142736D+01  0.896530D-01
      6   0.253503D+01  0.392982D+01  0.108346D+01  0.137208D+01 -0.314060D+00
                66            67            68            69            70 
      1   0.489598D+00 -0.664415D+01  0.378928D+01 -0.306548D+01  0.249541D+01
      2  -0.195864D+01  0.126581D+02  0.320349D+01  0.831970D+00 -0.104075D+01
      3   0.146905D+01 -0.601391D+01 -0.699277D+01  0.223351D+01 -0.145466D+01
      4   0.146222D+01  0.173743D+02  0.190649D+02  0.103226D+01  0.478664D+01
      5   0.734683D+01  0.801347D-02  0.115716D+01  0.343627D+01  0.611923D+01
      6   0.367613D+01 -0.930989D+00  0.281130D+01  0.687424D+01  0.377680D+01
                71            72            73            74            75 
      1  -0.232267D+01 -0.309058D+01 -0.588342D+01 -0.275297D+01 -0.223212D+01
      2   0.562178D+01 -0.147596D+01  0.625290D+01  0.607013D+00 -0.772081D+00
      3  -0.329911D+01  0.456653D+01 -0.369476D+00  0.214596D+01  0.300421D+01
      4   0.403104D+01  0.467885D+01  0.318051D+01  0.199582D+01  0.186618D+01
      5   0.340097D+01  0.151394D+01 -0.157595D+01  0.629100D+00  0.435196D+01
      6   0.701225D+01  0.238477D+01  0.186890D+01 -0.656045D+00  0.378197D+00
                76            77            78            79            80 
      1  -0.199858D+01 -0.194193D+02  0.192556D+01 -0.111530D+01 -0.108749D+01
      2  -0.268531D+01  0.330007D+02  0.123203D+01  0.102573D+01 -0.781433D+00
      3   0.468389D+01 -0.135813D+02 -0.315759D+01  0.895684D-01  0.186893D+01
      4   0.153270D+02 -0.243490D+02 -0.821583D+00  0.139391D+01 -0.317975D+00
      5   0.426541D-01 -0.771197D+00 -0.467234D+01  0.367419D+01 -0.307479D+01
      6  -0.174269D+01  0.704213D+00  0.102013D+02 -0.141140D+01  0.817412D+01
                81            82            83            84            85 
      1  -0.571286D+01  0.106600D+02  0.419442D+01  0.400266D+00 -0.258008D+01
      2   0.171369D+01 -0.299471D+01 -0.193203D+01 -0.617125D+00  0.279460D+01
      3   0.399917D+01 -0.766527D+01 -0.226238D+01  0.216859D+00 -0.214513D+00
      4  -0.312127D+01  0.207304D+02  0.202365D+02 -0.756099D+00  0.832428D+01
      5  -0.280737D+00  0.185897D+00 -0.756437D+00  0.668324D+01 -0.122732D+01
      6   0.641945D+00  0.337833D+00 -0.329660D+00  0.250768D+00 -0.166345D+01
                86            87            88            89            90 
      1  -0.251492D+02  0.300488D+00  0.109979D+00 -0.581092D+00 -0.806672D+01
      2   0.383441D+02 -0.343758D+00 -0.116256D+01  0.182959D+00  0.511480D+01
      3  -0.131949D+02  0.432708D-01  0.105258D+01  0.398133D+00  0.295191D+01
      4   0.196244D+02 -0.137738D+01 -0.153641D+00  0.288152D+00  0.643770D+01
      5  -0.189103D+01  0.175890D+01  0.397034D+01  0.673798D+01 -0.280719D+00
      6  -0.222007D+01  0.142328D+02 -0.364948D-01  0.127537D+02 -0.659909D+00
                91            92            93            94            95 
      1  -0.169225D+01 -0.755658D-01 -0.325197D+01 -0.237465D+00 -0.317938D+01
      2  -0.272149D+01  0.374989D+00 -0.103781D+01 -0.324119D-02  0.397779D+00
      3   0.441374D+01 -0.299423D+00  0.428979D+01  0.240706D+00  0.278160D+01
      4  -0.891620D+00  0.186508D+01 -0.129485D+01  0.262465D+01  0.121730D+01
      5   0.274961D+00 -0.599275D+00  0.484346D+01 -0.170883D+00 -0.616559D+00
      6  -0.175710D+01  0.822437D+00 -0.184358D+01  0.324752D+00 -0.207875D+01
                96            97            98            99           100 
      1   0.183903D+01 -0.369931D+01  0.327010D+01 -0.194191D+02 -0.229052D+01
      2  -0.128611D+01 -0.869396D+00 -0.101340D+01 -0.148529D+02 -0.256510D+01
      3  -0.552914D+00  0.456871D+01 -0.225671D+01  0.342720D+02  0.485562D+01
      4  -0.118983D+01 -0.102019D+01 -0.264323D+01 -0.131928D+00  0.128059D+01
      5   0.551408D+00  0.386302D+01  0.191428D+00 -0.575583D+01  0.383242D+00
      6   0.632407D+01 -0.101267D+01  0.544391D+01 -0.101634D+02  0.153095D+01
               101           102           103           104           105 
      1   0.533807D+00 -0.345063D+01  0.621456D+00 -0.292157D+01 -0.110561D+01
      2  -0.424714D+00 -0.105668D+01 -0.127917D+00 -0.906451D-01  0.183414D+01
      3  -0.109093D+00  0.450731D+01 -0.493539D+00  0.301221D+01 -0.728536D+00
      4   0.233791D+01  0.118325D+01  0.230524D+01 -0.307174D+00 -0.111395D+01
      5   0.267724D+00  0.530149D+01 -0.144820D+00 -0.480873D+00 -0.221151D+00
      6   0.662917D+00  0.156024D+01  0.706329D+00  0.125894D+01  0.616509D+01
               106           107           108           109           110 
      1  -0.541507D+01 -0.204864D+01 -0.211485D+02 -0.121249D+02  0.368677D+01
      2  -0.952989D+00  0.226465D+01 -0.153796D+02  0.610244D+01 -0.448052D+01
      3   0.636806D+01 -0.216004D+00  0.365281D+02  0.602243D+01  0.793757D+00
      4   0.145265D+01 -0.227806D+01  0.996154D+00 -0.176781D+02 -0.126412D+02
      5   0.400663D+01  0.582553D-01 -0.570932D+01 -0.501541D+00  0.423170D+00
      6   0.133168D+01  0.484883D+01  0.898405D+01 -0.488421D+00  0.372838D+00
               111           112           113           114           115 
      1  -0.493663D+00  0.171817D+01 -0.545692D+01  0.335901D+00  0.519397D-01
      2   0.151212D-01 -0.167999D+01  0.746433D+01 -0.309174D+00  0.142422D-01
      3   0.478542D+00 -0.381785D-01 -0.200741D+01 -0.267273D-01 -0.661819D-01
      4   0.448272D+00  0.535212D+00  0.132689D+01  0.110116D+00 -0.357342D+00
      5  -0.544488D+01  0.292133D-01 -0.277575D+00  0.508472D+00  0.352319D+00
      6  -0.130588D+01  0.282457D+00 -0.455277D+00  0.149699D+01 -0.208996D+00
               116           117           118           119           120 
      1   0.679270D+00 -0.220471D+01  0.994680D+01  0.702349D+01  0.601744D-02
      2  -0.637528D+00  0.628060D+00 -0.445647D+01 -0.316946D+01  0.123009D+00
      3  -0.417421D-01  0.157665D+01 -0.549033D+01 -0.385403D+01 -0.129027D+00
      4   0.193994D+00  0.431701D+00  0.801913D+01  0.614528D+01  0.301596D-01
      5   0.793426D+00  0.226747D+00 -0.211489D+00  0.842343D-01  0.235283D+01
      6   0.249586D+01 -0.513855D+00  0.539215D-02  0.555968D-01  0.132032D+01
               121           122           123           124           125 
      1   0.206342D+02  0.474985D+01  0.615302D+00 -0.843806D+00  0.130383D+00
      2  -0.119942D+02 -0.161600D+01 -0.582277D+00  0.387712D+00 -0.276391D+00
      3  -0.864000D+01 -0.313385D+01 -0.330247D-01  0.456094D+00  0.146008D+00
      4   0.722052D+01  0.224546D+02 -0.162866D+00  0.298724D-01 -0.219391D+00
      5   0.521404D+00 -0.307344D+00  0.442029D+01  0.437842D+01  0.270707D+01
      6   0.578994D-01  0.369116D+00 -0.112213D+00  0.656556D+00  0.162264D+01
               126           127           128           129           130 
      1   0.167878D+01 -0.429701D+01  0.938726D+01 -0.675519D+00  0.724320D+01
      2  -0.191079D+01  0.450187D+01 -0.126247D+02  0.189502D+00 -0.697432D+01
      3   0.232012D+00 -0.204867D+00  0.323742D+01  0.486017D+00 -0.268877D+00
      4   0.275893D+01 -0.367766D+01 -0.111819D+01 -0.314840D+00  0.353398D+01
      5   0.233432D+00 -0.262051D+00  0.862625D-01 -0.954397D+00  0.717461D-01
      6   0.798951D-01 -0.715766D+00  0.940562D+00 -0.146492D+01  0.120345D+00
               131           132           133           134           135 
      1  -0.212586D+02  0.738974D+00 -0.473489D+00  0.190575D+01 -0.339708D+01
      2   0.317621D+02 -0.102857D+01  0.531560D+00 -0.219750D+01  0.313539D+01
      3  -0.105035D+02  0.289596D+00 -0.580711D-01  0.291748D+00  0.261691D+00
      4   0.736156D+01 -0.346472D+00 -0.683545D+00 -0.697839D+00  0.736850D+00
      5  -0.684676D+00  0.173600D+01  0.979759D+00  0.913139D+00  0.338642D+00
      6  -0.188383D+01  0.447801D+01 -0.374615D+00  0.552323D+01 -0.659025D+00
               136           137           138           139           140 
      1   0.160012D+02  0.298896D+01  0.199621D+01 -0.345787D+01  0.478143D+01
      2  -0.669043D+01 -0.785976D+01 -0.484065D+00  0.443935D+00 -0.273277D+01
      3  -0.931081D+01  0.487080D+01 -0.151215D+01  0.301393D+01 -0.204866D+01
      4  -0.171033D+02  0.139251D+02 -0.189542D+01  0.487118D+01 -0.891446D+00
      5   0.190321D+01 -0.236216D+00  0.353718D+01 -0.596288D+00  0.760145D+00
      6  -0.174753D+01  0.170219D+00 -0.472255D+01  0.284796D+00 -0.408943D+00
               141           142           143           144 
      1  -0.635930D-01  0.179895D+01  0.166906D+01  0.605208D+00
      2   0.124182D+00 -0.129951D+01 -0.194810D+01 -0.149019D+01
      3  -0.605893D-01 -0.499449D+00  0.279036D+00  0.884985D+00
      4   0.627742D+00 -0.329792D+01  0.197446D+01 -0.341814D+01
      5  -0.164694D+01  0.428363D+01 -0.249701D+01  0.164584D+01
      6   0.261607D+00 -0.224996D+01  0.263534D+01 -0.197117D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.101689D+01      0.258468D+01      0.862157D+01
   y          0.118413D+01      0.300975D+01      0.100394D+02
   z         -0.938804D-01     -0.238620D+00     -0.795952D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.817975D+02      0.121211D+02      0.134866D+02
   yx         0.485171D+00      0.718949D-01      0.799938D-01
   yy         0.724905D+02      0.107420D+02      0.119521D+02
   zx         0.231744D+01      0.343409D+00      0.382094D+00
   zy        -0.928608D+00     -0.137605D+00     -0.153107D+00
   zz         0.474490D+02      0.703122D+01      0.782329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.730834D+02      0.108298D+02      0.120498D+02
   aniso      0.315314D+02      0.467247D+01      0.519882D+01
   xx         0.877481D+02      0.130029D+02      0.144677D+02
   yx         0.523758D+00      0.776129D-01      0.863560D-01
   yy         0.784999D+02      0.116325D+02      0.129429D+02
   zx         0.253008D+01      0.374919D+00      0.417154D+00
   zy        -0.953106D+00     -0.141236D+00     -0.157146D+00
   zz         0.530021D+02      0.785410D+01      0.873887D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.36613705         -1.93231799          1.06411086
     8          3.00072679         -2.52661013         -1.05307819
     8          3.23434426         -3.14809118          3.06439376
     6          0.57953831          0.25315521          1.64440423
     6         -1.74053337          0.54815162         -0.07722782
     6         -1.33701404          1.28257180         -2.87418922
     8         -2.57050826          3.01472731         -3.70610856
     8         -0.29014366         -0.16379782          4.16270315
     8         -3.17544312          2.49464004          1.07212425
     8          0.24842355         -0.02655414         -4.26499645
     1          1.61570088          2.04863596          1.64290003
     1         -2.86860962         -1.18682636          0.06026479
     1          1.32614180         -1.15806300         -3.21385684
     1          2.37538208         -2.48111987          4.55567432
     1         -1.53344592          1.12583451          4.52766959
     1         -3.70314660          3.58767736         -0.31555838

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.156366D+01      0.397443D+01      0.132573D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.156366D+01      0.397443D+01      0.132573D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.672457D+02      0.996479D+01      0.110873D+02
   aniso      0.310832D+02      0.460605D+01      0.512492D+01
   xx         0.621454D+02      0.920900D+01      0.102464D+02
   yx        -0.150861D+02     -0.223553D+01     -0.248736D+01
   yy         0.628739D+02      0.931696D+01      0.103665D+02
   zx         0.175982D+01      0.260778D+00      0.290155D+00
   zy        -0.489331D+01     -0.725114D+00     -0.806798D+00
   zz         0.767178D+02      0.113684D+02      0.126491D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.730834D+02      0.108298D+02      0.120498D+02
   aniso      0.315314D+02      0.467247D+01      0.519882D+01
   xx         0.677529D+02      0.100399D+02      0.111709D+02
   yx        -0.152946D+02     -0.226643D+01     -0.252174D+01
   yy         0.687729D+02      0.101911D+02      0.113391D+02
   zx         0.163824D+01      0.242762D+00      0.270109D+00
   zy        -0.498296D+01     -0.738399D+00     -0.821580D+00
   zz         0.827243D+02      0.122585D+02      0.136394D+02

 ----------------------------------------------------------------------
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 00000031\\\@


 OLD HORSE! OLD HORSE! WHAT BROUGHT YOU HERE?
 FROM SACARAP' TO PORTLAND PIER
 I'VE CARTED STONE THIS MANY A YEAR;
 TILL, KILLED BY BLOWS AND SORE ABUSE,
 THEY SALTED ME DOWN FOR SAILORS' USE.
 THE SAILORS THEY DO ME DESPISE;
 THEY TURN ME OVER AND DAMN MY EYES;
 CUT OFF MY MEAT, AND SCRAPE MY BONES,
 AND PITCH ME OVER TO DAVY JONES.

    SAILORS' COMPLAINT ABOUT THE BEEF
    SERVED ON SHIPBOARD, CIRCA 1835.
 Job cpu time:       0 days  5 hours  3 minutes 11.1 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 59.1 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 23:03:49 2021.
